Mon Mar 10 00:57:58 UTC 2025 I: starting to build meep/trixie/arm64 on jenkins on '2025-03-10 00:57' Mon Mar 10 00:57:58 UTC 2025 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/arm64_7/60906/console.log Mon Mar 10 00:57:58 UTC 2025 I: Downloading source for trixie/meep=1.29.0-1 --2025-03-10 00:57:59-- http://deb.debian.org/debian/pool/main/m/meep/meep_1.29.0-1.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2495 (2.4K) [text/prs.lines.tag] Saving to: ‘meep_1.29.0-1.dsc’ 0K .. 100% 308M=0s 2025-03-10 00:57:59 (308 MB/s) - ‘meep_1.29.0-1.dsc’ saved [2495/2495] Mon Mar 10 00:57:59 UTC 2025 I: meep_1.29.0-1.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: meep Binary: meep, libmeep33, libmeep-dev, python3-meep Architecture: any Version: 1.29.0-1 Maintainer: Thorsten Alteholz Homepage: https://meep.readthedocs.io Standards-Version: 4.7.0 Vcs-Browser: https://salsa.debian.org/alteholz/meep Vcs-Git: https://salsa.debian.org/alteholz/meep.git Testsuite: autopkgtest-pkg-python Build-Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit Package-List: libmeep-dev deb libdevel optional arch=any libmeep33 deb libs optional arch=any meep deb science optional arch=any python3-meep deb python optional arch=any Checksums-Sha1: 64f7a6ce26f97e0dace9378c784494b7273a563a 45869613 meep_1.29.0.orig.tar.gz 84218dec65113ac8f929e543cb957eebb5b793d2 143852 meep_1.29.0-1.debian.tar.xz Checksums-Sha256: f63bdf6a8fbae8aad87d4f683da3a466d687848a53bbebe1d6935fb268aeeffa 45869613 meep_1.29.0.orig.tar.gz 0b221840ff61127eb3a6c968b5323552bd5f57ea1da630fa45a8037241c081aa 143852 meep_1.29.0-1.debian.tar.xz Files: 411797e008bb3b64583c40925a835be0 45869613 meep_1.29.0.orig.tar.gz 1375bb06df16b0abe22b23f5f1091a44 143852 meep_1.29.0-1.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQKnBAEBCgCRFiEEYgH7/9u94Hgi6ruWlvysDTh7WEcFAmfEI8pfFIAAAAAALgAo aXNzdWVyLWZwckBub3RhdGlvbnMub3BlbnBncC5maWZ0aGhvcnNlbWFuLm5ldDYy MDFGQkZGREJCREUwNzgyMkVBQkI5Njk2RkNBQzBEMzg3QjU4NDcTHGRlYmlhbkBh bHRlaG9sei5kZQAKCRCW/KwNOHtYR8p5EACp1l1i0mOoQ9s5Q5necOFBZXAyv3ji y33B0IvvaJZJEnHRzRG5dyU4EjPt3ocnPQAHlKcrvYn/xZvh8eHvpIEp5HyZ9kUO tTQtvnGLpJZThp4wrAPiZYX+5xLNnSwaatdTMUwK1OCa2MUzUyHP62Vo9LnDmdXq +Ljf7lj7DuakJOrUVUWA76XpNJx5f4tlp5HqktVZxtGUBkbeCl+FYoU7kZ8pGcrN f686jiv5DFJn4vQuT5BJol0X35HtV18Jo0LrtESjONZIIhwWE3YdcEo0AJIa7oNf V6wPun/7YMmZt2yXqbNtJPVCMoQt8X0UgRBhPSfvcDGMCx5/8CNa8N3I73ZCzCYu hK+cqTx63dXa9NlHKeLgz+Oj5ZaiY20/UwM6nD3M2IqjB8hUhD1J26ONyzoDDdI6 AF3DvtPhUWBPHUYJ1Ug7kgPA5Gyh6NRGSt+xIh33u0/SBqNKJl0TqgetSBXXRA8f hXb2fFSNxUBLKJZnz3mgMqIzc2/2Cxzv53bxMVHSj+2PRb5XlNVd4ikD5haHGtL6 VE8TzUWGA6vA063xFk6ghWlRfmHJT6AHffJGz9cUkvGHjICKhrPXVkjT4gE/bEWm spTN86AqnMu+BoXnlUkeqsQGKfXGaq8jS+D4OLC8LWfo/fqVwHZ/N84kGIcRK4a1 ti+5r0qUjCaeXQ== =cfF/ -----END PGP SIGNATURE----- Mon Mar 10 00:57:59 UTC 2025 I: Checking whether the package is not for us Mon Mar 10 00:57:59 UTC 2025 I: Starting 1st build on remote node codethink04-arm64.debian.net. Mon Mar 10 00:57:59 UTC 2025 I: Preparing to do remote build '1' on codethink04-arm64.debian.net. Mon Mar 10 01:57:49 UTC 2025 I: Deleting $TMPDIR on codethink04-arm64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Sun Mar 9 12:58:02 -12 2025 I: pbuilder-time-stamp: 1741568282 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [meep_1.29.0-1.dsc] I: copying [./meep_1.29.0.orig.tar.gz] I: copying [./meep_1.29.0-1.debian.tar.xz] I: Extracting source dpkg-source: warning: cannot verify inline signature for ./meep_1.29.0-1.dsc: unsupported subcommand dpkg-source: info: extracting meep in meep-1.29.0 dpkg-source: info: unpacking meep_1.29.0.orig.tar.gz dpkg-source: info: unpacking meep_1.29.0-1.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying python-distutils.patch dpkg-source: info: applying i386-fix.patch I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/718150/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='arm64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' DISTRIBUTION='trixie' HOME='/root' HOST_ARCH='arm64' IFS=' ' INVOCATION_ID='a69ec718fbde4ee6afcfd2c318747f81' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='718150' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/pbuilderrc_sTiX --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/b1 --logfile b1/build.log meep_1.29.0-1.dsc' SUDO_GID='109' SUDO_UID='104' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://192.168.101.4:3128' I: uname -a Linux codethink04-arm64 6.1.0-31-cloud-arm64 #1 SMP Debian 6.1.128-1 (2025-02-07) aarch64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin I: user script /srv/workspace/pbuilder/718150/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: arm64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: gfortran, debhelper-compat (= 13), quilt, libctl-dev (>= 4.5.0-8), pkg-config, libharminv-dev (>= 1.4.1), zlib1g-dev, libfftw3-dev, libgsl-dev, liblapack-dev, chrpath, libblas-dev, libhdf5-dev, swig, mpb-dev (>= 1.11.1-2), mpb, python3-dev, python3-numpy, python3-h5py, python3-scipy, python3-matplotlib, python3-setuptools, libgdsii-dev, architecture-is-64-bit dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19914 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on gfortran; however: Package gfortran is not installed. pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on quilt; however: Package quilt is not installed. pbuilder-satisfydepends-dummy depends on libctl-dev (>= 4.5.0-8); however: Package libctl-dev is not installed. pbuilder-satisfydepends-dummy depends on pkg-config; however: Package pkg-config is not installed. pbuilder-satisfydepends-dummy depends on libharminv-dev (>= 1.4.1); however: Package libharminv-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on libfftw3-dev; however: Package libfftw3-dev is not installed. pbuilder-satisfydepends-dummy depends on libgsl-dev; however: Package libgsl-dev is not installed. pbuilder-satisfydepends-dummy depends on liblapack-dev; however: Package liblapack-dev is not installed. pbuilder-satisfydepends-dummy depends on chrpath; however: Package chrpath is not installed. pbuilder-satisfydepends-dummy depends on libblas-dev; however: Package libblas-dev is not installed. pbuilder-satisfydepends-dummy depends on libhdf5-dev; however: Package libhdf5-dev is not installed. pbuilder-satisfydepends-dummy depends on swig; however: Package swig is not installed. pbuilder-satisfydepends-dummy depends on mpb-dev (>= 1.11.1-2); however: Package mpb-dev is not installed. pbuilder-satisfydepends-dummy depends on mpb; however: Package mpb is not installed. pbuilder-satisfydepends-dummy depends on python3-dev; however: Package python3-dev is not installed. pbuilder-satisfydepends-dummy depends on python3-numpy; however: Package python3-numpy is not installed. pbuilder-satisfydepends-dummy depends on python3-h5py; however: Package python3-h5py is not installed. pbuilder-satisfydepends-dummy depends on python3-scipy; however: Package python3-scipy is not installed. pbuilder-satisfydepends-dummy depends on python3-matplotlib; however: Package python3-matplotlib is not installed. pbuilder-satisfydepends-dummy depends on python3-setuptools; however: Package python3-setuptools is not installed. pbuilder-satisfydepends-dummy depends on libgdsii-dev; however: Package libgdsii-dev is not installed. pbuilder-satisfydepends-dummy depends on architecture-is-64-bit; however: Package architecture-is-64-bit is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: architecture-properties{a} autoconf{a} automake{a} autopoint{a} autotools-dev{a} blt{a} bsdextrautils{a} chrpath{a} comerr-dev{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} diffstat{a} dwz{a} ed{a} file{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-lyx{a} gettext{a} gettext-base{a} gfortran{a} gfortran-14{a} gfortran-14-aarch64-linux-gnu{a} gfortran-aarch64-linux-gnu{a} groff-base{a} guile-3.0{a} guile-3.0-dev{a} guile-3.0-libs{a} hdf5-helpers{a} ibverbs-providers{a} intltool-debian{a} krb5-multidev{a} libaec-dev{a} libaec0{a} libamd-comgr2{a} libamdhip64-5{a} libarchive-zip-perl{a} libblas-dev{a} libblas3{a} libbrotli-dev{a} libbrotli1{a} libcom-err2{a} libctl-dev{a} libctl7t64{a} libcurl4-openssl-dev{a} libcurl4t64{a} libdebhelper-perl{a} libdeflate0{a} libdrm-amdgpu1{a} libdrm-common{a} libdrm2{a} libedit2{a} libelf1t64{a} libevent-2.1-7t64{a} libevent-core-2.1-7t64{a} libevent-pthreads-2.1-7t64{a} libexpat1{a} libexpat1-dev{a} libfabric1{a} libffi8{a} libfftw3-bin{a} libfftw3-dev{a} libfftw3-double3{a} libfftw3-long3{a} libfftw3-single3{a} libfile-stripnondeterminism-perl{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgc-dev{a} libgc1{a} libgcrypt20{a} libgdsii-dev{a} libgdsii0{a} libgfortran-14-dev{a} libgfortran5{a} libglib2.0-0t64{a} libgmp-dev{a} libgmpxx4ldbl{a} libgnutls-dane0t64{a} libgnutls-openssl27t64{a} libgnutls28-dev{a} libgnutls30t64{a} libgpg-error0{a} libgraphite2-3{a} libgsl-dev{a} libgsl28{a} libgslcblas0{a} libgssapi-krb5-2{a} libgssrpc4t64{a} libharfbuzz0b{a} libharminv-dev{a} libharminv3{a} libhdf5-310{a} libhdf5-cpp-310{a} libhdf5-dev{a} libhdf5-fortran-310{a} libhdf5-hl-310{a} libhdf5-hl-cpp-310{a} libhdf5-hl-fortran-310{a} libhdf5-openmpi-310{a} libhsa-runtime64-1{a} libhsakmt1{a} libhwloc-plugins{a} libhwloc15{a} libibmad5{a} libibumad3{a} libibverbs1{a} libicu72{a} libidn2-0{a} libidn2-dev{a} libimagequant0{a} libjbig0{a} libjpeg-dev{a} libjpeg62-turbo{a} libjpeg62-turbo-dev{a} libjs-jquery{a} libjs-jquery-ui{a} libjs-sphinxdoc{a} libjs-underscore{a} libk5crypto3{a} libkadm5clnt-mit12{a} libkadm5srv-mit12{a} libkdb5-10t64{a} libkeyutils1{a} libkrb5-3{a} libkrb5-dev{a} libkrb5support0{a} liblapack-dev{a} liblapack3{a} liblbfgsb0{a} liblcms2-2{a} libldap-dev{a} libldap2{a} liblerc4{a} libllvm17t64{a} libltdl-dev{a} libltdl7{a} liblzf1{a} libmagic-mgc{a} libmagic1t64{a} libmunge2{a} libncurses-dev{a} libncurses6{a} libnghttp2-14{a} libnghttp2-dev{a} libnghttp3-9{a} libnghttp3-dev{a} libnl-3-200{a} libnl-route-3-200{a} libnuma1{a} libopenjp2-7{a} libopenmpi40{a} libp11-kit-dev{a} libp11-kit0{a} libpciaccess0{a} libpipeline1{a} libpkgconf3{a} libpmix2t64{a} libpng16-16t64{a} libpsl-dev{a} libpsl5t64{a} libpython3-dev{a} libpython3-stdlib{a} libpython3.13{a} libpython3.13-dev{a} libpython3.13-minimal{a} libpython3.13-stdlib{a} libqhull-r8.0{a} libraqm0{a} librdmacm1t64{a} libreadline-dev{a} libreadline8t64{a} librtmp-dev{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libssh2-1-dev{a} libssh2-1t64{a} libssl-dev{a} libsz2{a} libtasn1-6{a} libtasn1-6-dev{a} libtcl8.6{a} libtiff6{a} libtk8.6{a} libtool{a} libuchardet0{a} libucx0{a} libunbound8{a} libunistring5{a} libwebp7{a} libwebpdemux2{a} libwebpmux3{a} libx11-6{a} libx11-data{a} libxau6{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxft2{a} libxml2{a} libxnvctrl0{a} libxrender1{a} libxslt1.1{a} libxss1{a} libz3-4{a} libzstd-dev{a} m4{a} man-db{a} media-types{a} mpb{a} mpb-dev{a} mpb-scm{a} netbase{a} nettle-dev{a} ocl-icd-libopencl1{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} python-matplotlib-data{a} python3{a} python3-attr{a} python3-autocommand{a} python3-brotli{a} python3-contourpy{a} python3-cycler{a} python3-dateutil{a} python3-decorator{a} python3-dev{a} python3-fonttools{a} python3-fs{a} python3-h5py{a} python3-h5py-serial{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jaraco.text{a} python3-kiwisolver{a} python3-lxml{a} python3-lz4{a} python3-matplotlib{a} python3-minimal{a} python3-more-itertools{a} python3-mpmath{a} python3-numpy{a} python3-numpy-dev{a} python3-packaging{a} python3-pil{a} python3-pil.imagetk{a} python3-pkg-resources{a} python3-platformdirs{a} python3-pyparsing{a} python3-pytz{a} python3-scipy{a} python3-setuptools{a} python3-sympy{a} python3-tk{a} python3-typeguard{a} python3-typing-extensions{a} python3-tz{a} python3-ufolib2{a} python3-unicodedata2{a} python3-zipp{a} python3.12-tk{a} python3.13{a} python3.13-dev{a} python3.13-minimal{a} python3.13-tk{a} quilt{a} readline-common{a} sensible-utils{a} swig{a} tk8.6-blt2.5{a} tzdata{a} unicode-data{a} x11-common{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: ca-certificates curl h5utils isympy-common javascript-common krb5-locales less libarchive-cpio-perl libctl-doc libglib2.0-data libgpg-error-l10n libgpm2 libldap-common libmail-sendmail-perl libsasl2-modules libtasn1-doc lynx publicsuffix python3-bs4 python3-cssselect python3-html5lib python3-olefile python3-pooch shared-mime-info wget xdg-user-dirs 0 packages upgraded, 281 newly installed, 0 to remove and 0 not upgraded. Need to get 222 MB of archives. After unpacking 954 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian trixie/main arm64 libpython3.13-minimal arm64 3.13.2-1 [853 kB] Get: 2 http://deb.debian.org/debian trixie/main arm64 libexpat1 arm64 2.6.4-1 [90.7 kB] Get: 3 http://deb.debian.org/debian trixie/main arm64 python3.13-minimal arm64 3.13.2-1 [1997 kB] Get: 4 http://deb.debian.org/debian trixie/main arm64 python3-minimal arm64 3.13.2-1 [27.1 kB] Get: 5 http://deb.debian.org/debian trixie/main arm64 media-types all 12.0.0 [28.9 kB] Get: 6 http://deb.debian.org/debian trixie/main arm64 netbase all 6.4 [12.8 kB] Get: 7 http://deb.debian.org/debian trixie/main arm64 tzdata all 2025a-2 [259 kB] Get: 8 http://deb.debian.org/debian trixie/main arm64 libffi8 arm64 3.4.7-1 [21.2 kB] Get: 9 http://deb.debian.org/debian trixie/main arm64 readline-common all 8.2-6 [69.4 kB] Get: 10 http://deb.debian.org/debian trixie/main arm64 libreadline8t64 arm64 8.2-6 [159 kB] Get: 11 http://deb.debian.org/debian trixie/main arm64 libpython3.13-stdlib arm64 3.13.2-1 [1914 kB] Get: 12 http://deb.debian.org/debian trixie/main arm64 python3.13 arm64 3.13.2-1 [745 kB] Get: 13 http://deb.debian.org/debian trixie/main arm64 libpython3-stdlib arm64 3.13.2-1 [10.0 kB] Get: 14 http://deb.debian.org/debian trixie/main arm64 python3 arm64 3.13.2-1 [28.1 kB] Get: 15 http://deb.debian.org/debian trixie/main arm64 python3-numpy-dev arm64 1:2.2.3+ds-2+b1 [136 kB] Get: 16 http://deb.debian.org/debian trixie/main arm64 libblas3 arm64 3.12.1-2 [104 kB] Get: 17 http://deb.debian.org/debian trixie/main arm64 libgfortran5 arm64 14.2.0-17 [361 kB] Get: 18 http://deb.debian.org/debian trixie/main arm64 liblapack3 arm64 3.12.1-2 [1819 kB] Get: 19 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:2.2.3+ds-2+b1 [3596 kB] Get: 20 http://deb.debian.org/debian trixie/main arm64 sensible-utils all 0.0.24 [24.8 kB] Get: 21 http://deb.debian.org/debian trixie/main arm64 libmagic-mgc arm64 1:5.45-3+b1 [314 kB] Get: 22 http://deb.debian.org/debian trixie/main arm64 libmagic1t64 arm64 1:5.45-3+b1 [102 kB] Get: 23 http://deb.debian.org/debian trixie/main arm64 file arm64 1:5.45-3+b1 [43.4 kB] Get: 24 http://deb.debian.org/debian trixie/main arm64 gettext-base arm64 0.23.1-1 [241 kB] Get: 25 http://deb.debian.org/debian trixie/main arm64 libuchardet0 arm64 0.0.8-1+b2 [69.2 kB] Get: 26 http://deb.debian.org/debian trixie/main arm64 groff-base arm64 1.23.0-7 [1129 kB] Get: 27 http://deb.debian.org/debian trixie/main arm64 bsdextrautils arm64 2.40.4-5 [92.0 kB] Get: 28 http://deb.debian.org/debian trixie/main arm64 libpipeline1 arm64 1.5.8-1 [40.2 kB] Get: 29 http://deb.debian.org/debian trixie/main arm64 man-db arm64 2.13.0-1 [1404 kB] Get: 30 http://deb.debian.org/debian trixie/main arm64 architecture-properties arm64 0.2.6 [2336 B] Get: 31 http://deb.debian.org/debian trixie/main arm64 m4 arm64 1.4.19-7 [285 kB] Get: 32 http://deb.debian.org/debian trixie/main arm64 autoconf all 2.72-3 [493 kB] Get: 33 http://deb.debian.org/debian trixie/main arm64 autotools-dev all 20220109.1 [51.6 kB] Get: 34 http://deb.debian.org/debian trixie/main arm64 automake all 1:1.17-3 [862 kB] Get: 35 http://deb.debian.org/debian trixie/main arm64 autopoint all 0.23.1-1 [770 kB] Get: 36 http://deb.debian.org/debian trixie/main arm64 libtcl8.6 arm64 8.6.16+dfsg-1 [984 kB] Get: 37 http://deb.debian.org/debian trixie/main arm64 libbrotli1 arm64 1.1.0-2+b7 [308 kB] Get: 38 http://deb.debian.org/debian trixie/main arm64 libpng16-16t64 arm64 1.6.47-1 [274 kB] Get: 39 http://deb.debian.org/debian trixie/main arm64 libfreetype6 arm64 2.13.3+dfsg-1 [422 kB] Get: 40 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 41 http://deb.debian.org/debian trixie/main arm64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 42 http://deb.debian.org/debian trixie/main arm64 fontconfig-config arm64 2.15.0-2 [317 kB] Get: 43 http://deb.debian.org/debian trixie/main arm64 libfontconfig1 arm64 2.15.0-2 [386 kB] Get: 44 http://deb.debian.org/debian trixie/main arm64 libxau6 arm64 1:1.0.11-1 [20.6 kB] Get: 45 http://deb.debian.org/debian trixie/main arm64 libxdmcp6 arm64 1:1.1.5-1 [27.8 kB] Get: 46 http://deb.debian.org/debian trixie/main arm64 libxcb1 arm64 1.17.0-2+b1 [143 kB] Get: 47 http://deb.debian.org/debian trixie/main arm64 libx11-data all 2:1.8.10-2 [337 kB] Get: 48 http://deb.debian.org/debian trixie/main arm64 libx11-6 arm64 2:1.8.10-2 [789 kB] Get: 49 http://deb.debian.org/debian trixie/main arm64 libxrender1 arm64 1:0.9.10-1.1+b4 [27.2 kB] Get: 50 http://deb.debian.org/debian trixie/main arm64 libxft2 arm64 2.3.6-1+b4 [51.6 kB] Get: 51 http://deb.debian.org/debian trixie/main arm64 libxext6 arm64 2:1.3.4-1+b3 [49.2 kB] Get: 52 http://deb.debian.org/debian trixie/main arm64 x11-common all 1:7.7+24 [217 kB] Get: 53 http://deb.debian.org/debian trixie/main arm64 libxss1 arm64 1:1.2.3-1+b3 [17.1 kB] Get: 54 http://deb.debian.org/debian trixie/main arm64 libtk8.6 arm64 8.6.16-1 [741 kB] Get: 55 http://deb.debian.org/debian trixie/main arm64 tk8.6-blt2.5 arm64 2.5.3+dfsg-7+b1 [538 kB] Get: 56 http://deb.debian.org/debian trixie/main arm64 blt arm64 2.5.3+dfsg-7+b1 [6344 B] Get: 57 http://deb.debian.org/debian trixie/main arm64 chrpath arm64 0.18-1 [13.2 kB] Get: 58 http://deb.debian.org/debian trixie/main arm64 libcom-err2 arm64 1.47.2-1 [23.9 kB] Get: 59 http://deb.debian.org/debian trixie/main arm64 comerr-dev arm64 2.1-1.47.2-1 [55.9 kB] Get: 60 http://deb.debian.org/debian trixie/main arm64 libdebhelper-perl all 13.24.1 [90.9 kB] Get: 61 http://deb.debian.org/debian trixie/main arm64 libtool all 2.5.4-3 [539 kB] Get: 62 http://deb.debian.org/debian trixie/main arm64 dh-autoreconf all 20 [17.1 kB] Get: 63 http://deb.debian.org/debian trixie/main arm64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 64 http://deb.debian.org/debian trixie/main arm64 libfile-stripnondeterminism-perl all 1.14.1-2 [19.7 kB] Get: 65 http://deb.debian.org/debian trixie/main arm64 dh-strip-nondeterminism all 1.14.1-2 [8620 B] Get: 66 http://deb.debian.org/debian trixie/main arm64 libelf1t64 arm64 0.192-4 [189 kB] Get: 67 http://deb.debian.org/debian trixie/main arm64 dwz arm64 0.15-1+b1 [102 kB] Get: 68 http://deb.debian.org/debian trixie/main arm64 libunistring5 arm64 1.3-1 [449 kB] Get: 69 http://deb.debian.org/debian trixie/main arm64 libicu72 arm64 72.1-6 [9239 kB] Get: 70 http://deb.debian.org/debian trixie/main arm64 libxml2 arm64 2.12.7+dfsg+really2.9.14-0.2+b2 [630 kB] Get: 71 http://deb.debian.org/debian trixie/main arm64 gettext arm64 0.23.1-1 [1610 kB] Get: 72 http://deb.debian.org/debian trixie/main arm64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 73 http://deb.debian.org/debian trixie/main arm64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 74 http://deb.debian.org/debian trixie/main arm64 debhelper all 13.24.1 [920 kB] Get: 75 http://deb.debian.org/debian trixie/main arm64 diffstat arm64 1.67-1 [32.6 kB] Get: 76 http://deb.debian.org/debian trixie/main arm64 ed arm64 1.21-1 [60.0 kB] Get: 77 http://deb.debian.org/debian trixie/main arm64 fonts-lyx all 2.4.3-1 [190 kB] Get: 78 http://deb.debian.org/debian trixie/main arm64 libgfortran-14-dev arm64 14.2.0-17 [418 kB] Get: 79 http://deb.debian.org/debian trixie/main arm64 gfortran-14-aarch64-linux-gnu arm64 14.2.0-17 [9794 kB] Get: 80 http://deb.debian.org/debian trixie/main arm64 gfortran-14 arm64 14.2.0-17 [14.0 kB] Get: 81 http://deb.debian.org/debian trixie/main arm64 gfortran-aarch64-linux-gnu arm64 4:14.2.0-1 [1284 B] Get: 82 http://deb.debian.org/debian trixie/main arm64 gfortran arm64 4:14.2.0-1 [1424 B] Get: 83 http://deb.debian.org/debian trixie/main arm64 libgc1 arm64 1:8.2.8-1 [241 kB] Get: 84 http://deb.debian.org/debian trixie/main arm64 guile-3.0-libs arm64 3.0.10+really3.0.10-4 [6837 kB] Get: 85 http://deb.debian.org/debian trixie/main arm64 guile-3.0 arm64 3.0.10+really3.0.10-4 [22.7 kB] Get: 86 http://deb.debian.org/debian trixie/main arm64 libncurses6 arm64 6.5+20250216-1 [96.1 kB] Get: 87 http://deb.debian.org/debian trixie/main arm64 libncurses-dev arm64 6.5+20250216-1 [341 kB] Get: 88 http://deb.debian.org/debian trixie/main arm64 libreadline-dev arm64 8.2-6 [155 kB] Get: 89 http://deb.debian.org/debian trixie/main arm64 libltdl7 arm64 2.5.4-3 [415 kB] Get: 90 http://deb.debian.org/debian trixie/main arm64 libltdl-dev arm64 2.5.4-3 [168 kB] Get: 91 http://deb.debian.org/debian trixie/main arm64 libgmpxx4ldbl arm64 2:6.3.0+dfsg-3 [329 kB] Get: 92 http://deb.debian.org/debian trixie/main arm64 libgmp-dev arm64 2:6.3.0+dfsg-3 [621 kB] Get: 93 http://deb.debian.org/debian trixie/main arm64 libgc-dev arm64 1:8.2.8-1 [415 kB] Get: 94 http://deb.debian.org/debian trixie/main arm64 libpkgconf3 arm64 1.8.1-4 [35.3 kB] Get: 95 http://deb.debian.org/debian trixie/main arm64 pkgconf-bin arm64 1.8.1-4 [29.6 kB] Get: 96 http://deb.debian.org/debian trixie/main arm64 pkgconf arm64 1.8.1-4 [26.1 kB] Get: 97 http://deb.debian.org/debian trixie/main arm64 guile-3.0-dev arm64 3.0.10+really3.0.10-4 [151 kB] Get: 98 http://deb.debian.org/debian trixie/main arm64 hdf5-helpers arm64 1.14.5+repack-3 [26.6 kB] Get: 99 http://deb.debian.org/debian trixie/main arm64 libnl-3-200 arm64 3.7.0-0.3+b1 [57.0 kB] Get: 100 http://deb.debian.org/debian trixie/main arm64 libnl-route-3-200 arm64 3.7.0-0.3+b1 [167 kB] Get: 101 http://deb.debian.org/debian trixie/main arm64 libibverbs1 arm64 55.0-1 [58.6 kB] Get: 102 http://deb.debian.org/debian trixie/main arm64 ibverbs-providers arm64 55.0-1 [328 kB] Get: 103 http://deb.debian.org/debian trixie/main arm64 libkrb5support0 arm64 1.21.3-4 [32.2 kB] Get: 104 http://deb.debian.org/debian trixie/main arm64 libk5crypto3 arm64 1.21.3-4 [81.5 kB] Get: 105 http://deb.debian.org/debian trixie/main arm64 libkeyutils1 arm64 1.6.3-4 [9352 B] Get: 106 http://deb.debian.org/debian trixie/main arm64 libkrb5-3 arm64 1.21.3-4 [308 kB] Get: 107 http://deb.debian.org/debian trixie/main arm64 libgssapi-krb5-2 arm64 1.21.3-4 [127 kB] Get: 108 http://deb.debian.org/debian trixie/main arm64 libgssrpc4t64 arm64 1.21.3-4 [56.9 kB] Get: 109 http://deb.debian.org/debian trixie/main arm64 libkadm5clnt-mit12 arm64 1.21.3-4 [41.0 kB] Get: 110 http://deb.debian.org/debian trixie/main arm64 libkdb5-10t64 arm64 1.21.3-4 [41.0 kB] Get: 111 http://deb.debian.org/debian trixie/main arm64 libkadm5srv-mit12 arm64 1.21.3-4 [53.1 kB] Get: 112 http://deb.debian.org/debian trixie/main arm64 krb5-multidev arm64 1.21.3-4 [126 kB] Get: 113 http://deb.debian.org/debian trixie/main arm64 libaec0 arm64 1.1.3-1+b1 [22.5 kB] Get: 114 http://deb.debian.org/debian trixie/main arm64 libsz2 arm64 1.1.3-1+b1 [8044 B] Get: 115 http://deb.debian.org/debian trixie/main arm64 libaec-dev arm64 1.1.3-1+b1 [20.2 kB] Get: 116 http://deb.debian.org/debian trixie/main arm64 libedit2 arm64 3.1-20250104-1 [89.3 kB] Get: 117 http://deb.debian.org/debian trixie/main arm64 libz3-4 arm64 4.13.3-1 [7507 kB] Get: 118 http://deb.debian.org/debian trixie/main arm64 libllvm17t64 arm64 1:17.0.6-21 [21.3 MB] Get: 119 http://deb.debian.org/debian trixie/main arm64 libamd-comgr2 arm64 6.0+git20231212.4510c28+dfsg-3+b2 [12.1 MB] Get: 120 http://deb.debian.org/debian trixie/main arm64 libdrm-common all 2.4.124-1 [8180 B] Get: 121 http://deb.debian.org/debian trixie/main arm64 libdrm2 arm64 2.4.124-1 [38.2 kB] Get: 122 http://deb.debian.org/debian trixie/main arm64 libdrm-amdgpu1 arm64 2.4.124-1 [21.8 kB] Get: 123 http://deb.debian.org/debian trixie/main arm64 libnuma1 arm64 2.0.18-1+b1 [21.8 kB] Get: 124 http://deb.debian.org/debian trixie/main arm64 libhsakmt1 arm64 6.2.4+ds-1 [58.3 kB] Get: 125 http://deb.debian.org/debian trixie/main arm64 libhsa-runtime64-1 arm64 6.1.2-3 [302 kB] Get: 126 http://deb.debian.org/debian trixie/main arm64 libamdhip64-5 arm64 5.7.1-5+b1 [8826 kB] Get: 127 http://deb.debian.org/debian trixie/main arm64 libblas-dev arm64 3.12.1-2 [111 kB] Get: 128 http://deb.debian.org/debian trixie/main arm64 libbrotli-dev arm64 1.1.0-2+b7 [308 kB] Get: 129 http://deb.debian.org/debian trixie/main arm64 libctl7t64 arm64 4.5.1-3 [104 kB] Get: 130 http://deb.debian.org/debian trixie/main arm64 libctl-dev arm64 4.5.1-3 [101 kB] Get: 131 http://deb.debian.org/debian trixie/main arm64 libidn2-0 arm64 2.3.7-2+b1 [127 kB] Get: 132 http://deb.debian.org/debian trixie/main arm64 libsasl2-modules-db arm64 2.1.28+dfsg1-9 [20.1 kB] Get: 133 http://deb.debian.org/debian trixie/main arm64 libsasl2-2 arm64 2.1.28+dfsg1-9 [55.6 kB] Get: 134 http://deb.debian.org/debian trixie/main arm64 libldap2 arm64 2.6.9+dfsg-1 [179 kB] Get: 135 http://deb.debian.org/debian trixie/main arm64 libnghttp2-14 arm64 1.64.0-1 [71.3 kB] Get: 136 http://deb.debian.org/debian trixie/main arm64 libnghttp3-9 arm64 1.8.0-1 [63.2 kB] Get: 137 http://deb.debian.org/debian trixie/main arm64 libpsl5t64 arm64 0.21.2-1.1+b1 [57.1 kB] Get: 138 http://deb.debian.org/debian trixie/main arm64 libp11-kit0 arm64 0.25.5-3 [409 kB] Get: 139 http://deb.debian.org/debian trixie/main arm64 libtasn1-6 arm64 4.20.0-2 [47.3 kB] Get: 140 http://deb.debian.org/debian trixie/main arm64 libgnutls30t64 arm64 3.8.9-2 [1374 kB] Get: 141 http://deb.debian.org/debian trixie/main arm64 librtmp1 arm64 2.4+20151223.gitfa8646d.1-2+b5 [56.8 kB] Get: 142 http://deb.debian.org/debian trixie/main arm64 libssh2-1t64 arm64 1.11.1-1 [235 kB] Get: 143 http://deb.debian.org/debian trixie/main arm64 libcurl4t64 arm64 8.12.1-3 [339 kB] Get: 144 http://deb.debian.org/debian trixie/main arm64 libidn2-dev arm64 2.3.7-2+b1 [122 kB] Get: 145 http://deb.debian.org/debian trixie/main arm64 libkrb5-dev arm64 1.21.3-4 [15.9 kB] Get: 146 http://deb.debian.org/debian trixie/main arm64 libldap-dev arm64 2.6.9+dfsg-1 [305 kB] Get: 147 http://deb.debian.org/debian trixie/main arm64 libnghttp2-dev arm64 1.64.0-1 [112 kB] Get: 148 http://deb.debian.org/debian trixie/main arm64 libnghttp3-dev arm64 1.8.0-1 [89.4 kB] Get: 149 http://deb.debian.org/debian trixie/main arm64 libpsl-dev arm64 0.21.2-1.1+b1 [77.9 kB] Get: 150 http://deb.debian.org/debian trixie/main arm64 libevent-2.1-7t64 arm64 2.1.12-stable-10+b1 [170 kB] Get: 151 http://deb.debian.org/debian trixie/main arm64 libunbound8 arm64 1.22.0-1+b1 [553 kB] Get: 152 http://deb.debian.org/debian trixie/main arm64 libgnutls-dane0t64 arm64 3.8.9-2 [452 kB] Get: 153 http://deb.debian.org/debian trixie/main arm64 libgnutls-openssl27t64 arm64 3.8.9-2 [452 kB] Get: 154 http://deb.debian.org/debian trixie/main arm64 libp11-kit-dev arm64 0.25.5-3 [208 kB] Get: 155 http://deb.debian.org/debian trixie/main arm64 libtasn1-6-dev arm64 4.20.0-2 [96.7 kB] Get: 156 http://deb.debian.org/debian trixie/main arm64 nettle-dev arm64 3.10.1-1 [1325 kB] Get: 157 http://deb.debian.org/debian trixie/main arm64 libgnutls28-dev arm64 3.8.9-2 [1419 kB] Get: 158 http://deb.debian.org/debian trixie/main arm64 zlib1g-dev arm64 1:1.3.dfsg+really1.3.1-1+b1 [917 kB] Get: 159 http://deb.debian.org/debian trixie/main arm64 librtmp-dev arm64 2.4+20151223.gitfa8646d.1-2+b5 [67.5 kB] Get: 160 http://deb.debian.org/debian trixie/main arm64 libssl-dev arm64 3.4.1-1 [3232 kB] Get: 161 http://deb.debian.org/debian trixie/main arm64 libssh2-1-dev arm64 1.11.1-1 [388 kB] Get: 162 http://deb.debian.org/debian trixie/main arm64 libzstd-dev arm64 1.5.6+dfsg-2 [329 kB] Get: 163 http://deb.debian.org/debian trixie/main arm64 libcurl4-openssl-dev arm64 8.12.1-3 [468 kB] Get: 164 http://deb.debian.org/debian trixie/main arm64 libdeflate0 arm64 1.23-1+b1 [42.5 kB] Get: 165 http://deb.debian.org/debian trixie/main arm64 libevent-core-2.1-7t64 arm64 2.1.12-stable-10+b1 [126 kB] Get: 166 http://deb.debian.org/debian trixie/main arm64 libevent-pthreads-2.1-7t64 arm64 2.1.12-stable-10+b1 [54.4 kB] Get: 167 http://deb.debian.org/debian trixie/main arm64 libexpat1-dev arm64 2.6.4-1 [143 kB] Get: 168 http://deb.debian.org/debian trixie/main arm64 librdmacm1t64 arm64 55.0-1 [67.0 kB] Get: 169 http://deb.debian.org/debian trixie/main arm64 libfabric1 arm64 1.17.0-3.1 [480 kB] Get: 170 http://deb.debian.org/debian trixie/main arm64 libfftw3-double3 arm64 3.3.10-2+b1 [337 kB] Get: 171 http://deb.debian.org/debian trixie/main arm64 libfftw3-long3 arm64 3.3.10-2+b1 [546 kB] Get: 172 http://deb.debian.org/debian trixie/main arm64 libfftw3-single3 arm64 3.3.10-2+b1 [517 kB] Get: 173 http://deb.debian.org/debian trixie/main arm64 libfftw3-bin arm64 3.3.10-2+b1 [44.3 kB] Get: 174 http://deb.debian.org/debian trixie/main arm64 libfftw3-dev arm64 3.3.10-2+b1 [1280 kB] Get: 175 http://deb.debian.org/debian trixie/main arm64 libfribidi0 arm64 1.0.16-1 [26.5 kB] Get: 176 http://deb.debian.org/debian trixie/main arm64 libgpg-error0 arm64 1.51-3 [78.5 kB] Get: 177 http://deb.debian.org/debian trixie/main arm64 libgcrypt20 arm64 1.11.0-7 [742 kB] Get: 178 http://deb.debian.org/debian trixie/main arm64 libgdsii0 arm64 0.2+ds.1-1+b2 [29.6 kB] Get: 179 http://deb.debian.org/debian trixie/main arm64 libgdsii-dev arm64 0.2+ds.1-1+b2 [34.7 kB] Get: 180 http://deb.debian.org/debian trixie/main arm64 libglib2.0-0t64 arm64 2.83.4-1 [1422 kB] Get: 181 http://deb.debian.org/debian trixie/main arm64 libgraphite2-3 arm64 1.3.14-2+b1 [70.4 kB] Get: 182 http://deb.debian.org/debian trixie/main arm64 libgslcblas0 arm64 2.8+dfsg-5 [84.1 kB] Get: 183 http://deb.debian.org/debian trixie/main arm64 libgsl28 arm64 2.8+dfsg-5 [881 kB] Get: 184 http://deb.debian.org/debian trixie/main arm64 libgsl-dev arm64 2.8+dfsg-5 [1118 kB] Get: 185 http://deb.debian.org/debian trixie/main arm64 libharfbuzz0b arm64 10.2.0-1 [443 kB] Get: 186 http://deb.debian.org/debian trixie/main arm64 libharminv3 arm64 1.4.2-1+b1 [24.6 kB] Get: 187 http://deb.debian.org/debian trixie/main arm64 libharminv-dev arm64 1.4.2-1+b1 [15.1 kB] Get: 188 http://deb.debian.org/debian trixie/main arm64 libhdf5-310 arm64 1.14.5+repack-3 [1155 kB] Get: 189 http://deb.debian.org/debian trixie/main arm64 libhdf5-cpp-310 arm64 1.14.5+repack-3 [121 kB] Get: 190 http://deb.debian.org/debian trixie/main arm64 libhdf5-fortran-310 arm64 1.14.5+repack-3 [110 kB] Get: 191 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-310 arm64 1.14.5+repack-3 [66.1 kB] Get: 192 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-fortran-310 arm64 1.14.5+repack-3 [42.1 kB] Get: 193 http://deb.debian.org/debian trixie/main arm64 libhdf5-hl-cpp-310 arm64 1.14.5+repack-3 [24.4 kB] Get: 194 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo arm64 1:2.1.5-3.1 [173 kB] Get: 195 http://deb.debian.org/debian trixie/main arm64 libjpeg62-turbo-dev arm64 1:2.1.5-3.1 [293 kB] Get: 196 http://deb.debian.org/debian trixie/main arm64 libjpeg-dev arm64 1:2.1.5-3.1 [72.0 kB] Get: 197 http://deb.debian.org/debian trixie/main arm64 libhdf5-dev arm64 1.14.5+repack-3 [3225 kB] Get: 198 http://deb.debian.org/debian trixie/main arm64 libhwloc15 arm64 2.12.0-1 [142 kB] Get: 199 http://deb.debian.org/debian trixie/main arm64 libmunge2 arm64 0.5.16-1 [19.2 kB] Get: 200 http://deb.debian.org/debian trixie/main arm64 libpciaccess0 arm64 0.17-3+b3 [51.2 kB] Get: 201 http://deb.debian.org/debian trixie/main arm64 libxnvctrl0 arm64 535.171.04-1+b2 [14.0 kB] Get: 202 http://deb.debian.org/debian trixie/main arm64 ocl-icd-libopencl1 arm64 2.3.2-1+b2 [39.3 kB] Get: 203 http://deb.debian.org/debian trixie/main arm64 libhwloc-plugins arm64 2.12.0-1 [17.8 kB] Get: 204 http://deb.debian.org/debian trixie/main arm64 libpmix2t64 arm64 5.0.6-3 [576 kB] Get: 205 http://deb.debian.org/debian trixie/main arm64 libibumad3 arm64 55.0-1 [27.2 kB] Get: 206 http://deb.debian.org/debian trixie/main arm64 libibmad5 arm64 55.0-1 [41.3 kB] Get: 207 http://deb.debian.org/debian trixie/main arm64 libucx0 arm64 1.17.0+ds-3 [959 kB] Get: 208 http://deb.debian.org/debian trixie/main arm64 libopenmpi40 arm64 5.0.7-1 [2087 kB] Get: 209 http://deb.debian.org/debian trixie/main arm64 libhdf5-openmpi-310 arm64 1.14.5+repack-3 [1207 kB] Get: 210 http://deb.debian.org/debian trixie/main arm64 libimagequant0 arm64 2.18.0-1+b2 [34.6 kB] Get: 211 http://deb.debian.org/debian trixie/main arm64 libjbig0 arm64 2.1-6.1+b2 [30.4 kB] Get: 212 http://deb.debian.org/debian trixie/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 213 http://deb.debian.org/debian trixie/main arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [250 kB] Get: 214 http://deb.debian.org/debian trixie/main arm64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 215 http://deb.debian.org/debian trixie/main arm64 libjs-sphinxdoc all 8.1.3-5 [30.5 kB] Get: 216 http://deb.debian.org/debian trixie/main arm64 liblapack-dev arm64 3.12.1-2 [3726 kB] Get: 217 http://deb.debian.org/debian trixie/main arm64 liblbfgsb0 arm64 3.0+dfsg.4-1+b2 [25.6 kB] Get: 218 http://deb.debian.org/debian trixie/main arm64 liblcms2-2 arm64 2.16-2 [151 kB] Get: 219 http://deb.debian.org/debian trixie/main arm64 liblerc4 arm64 4.0.0+ds-5 [146 kB] Get: 220 http://deb.debian.org/debian trixie/main arm64 liblzf1 arm64 3.6-4+b3 [10.1 kB] Get: 221 http://deb.debian.org/debian trixie/main arm64 libopenjp2-7 arm64 2.5.3-1 [189 kB] Get: 222 http://deb.debian.org/debian trixie/main arm64 libpython3.13 arm64 3.13.2-1 [1970 kB] Get: 223 http://deb.debian.org/debian trixie/main arm64 libpython3.13-dev arm64 3.13.2-1 [4678 kB] Get: 224 http://deb.debian.org/debian trixie/main arm64 libpython3-dev arm64 3.13.2-1 [10.3 kB] Get: 225 http://deb.debian.org/debian trixie/main arm64 libqhull-r8.0 arm64 2020.2-6+b2 [229 kB] Get: 226 http://deb.debian.org/debian trixie/main arm64 libraqm0 arm64 0.10.2-1 [13.6 kB] Get: 227 http://deb.debian.org/debian trixie/main arm64 libsharpyuv0 arm64 1.5.0-0.1 [114 kB] Get: 228 http://deb.debian.org/debian trixie/main arm64 libwebp7 arm64 1.5.0-0.1 [271 kB] Get: 229 http://deb.debian.org/debian trixie/main arm64 libtiff6 arm64 4.5.1+git230720-5 [309 kB] Get: 230 http://deb.debian.org/debian trixie/main arm64 libwebpdemux2 arm64 1.5.0-0.1 [113 kB] Get: 231 http://deb.debian.org/debian trixie/main arm64 libwebpmux3 arm64 1.5.0-0.1 [125 kB] Get: 232 http://deb.debian.org/debian trixie/main arm64 libxslt1.1 arm64 1.1.35-1.1+b1 [222 kB] Get: 233 http://deb.debian.org/debian trixie/main arm64 mpb-scm all 1.11.1-6 [12.0 kB] Get: 234 http://deb.debian.org/debian trixie/main arm64 mpb arm64 1.11.1-6+b2 [192 kB] Get: 235 http://deb.debian.org/debian trixie/main arm64 mpb-dev arm64 1.11.1-6+b2 [8432 B] Get: 236 http://deb.debian.org/debian trixie/main arm64 python-matplotlib-data all 3.8.3-7 [2735 kB] Get: 237 http://deb.debian.org/debian trixie/main arm64 python3-attr all 25.1.0-1 [68.7 kB] Get: 238 http://deb.debian.org/debian trixie/main arm64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 239 http://deb.debian.org/debian trixie/main arm64 python3-brotli arm64 1.1.0-2+b7 [300 kB] Get: 240 http://deb.debian.org/debian trixie/main arm64 python3-contourpy arm64 1.3.1-1+b1 [190 kB] Get: 241 http://deb.debian.org/debian trixie/main arm64 python3-cycler all 0.12.1-1 [9496 B] Get: 242 http://deb.debian.org/debian trixie/main arm64 python3-dateutil all 2.9.0-3 [79.3 kB] Get: 243 http://deb.debian.org/debian trixie/main arm64 python3-decorator all 5.1.1-5 [15.1 kB] Get: 244 http://deb.debian.org/debian trixie/main arm64 python3.13-dev arm64 3.13.2-1 [505 kB] Get: 245 http://deb.debian.org/debian trixie/main arm64 python3-dev arm64 3.13.2-1 [26.1 kB] Get: 246 http://deb.debian.org/debian trixie/main arm64 python3-pytz all 2025.1-3 [150 kB] Get: 247 http://deb.debian.org/debian trixie/main arm64 python3-tz all 2025.1-3 [4004 B] Get: 248 http://deb.debian.org/debian trixie/main arm64 python3-platformdirs all 4.3.6-1 [16.6 kB] Get: 249 http://deb.debian.org/debian trixie/main arm64 python3-fs all 2.4.16-6 [95.1 kB] Get: 250 http://deb.debian.org/debian trixie/main arm64 python3-lxml arm64 5.3.1-1+b1 [1139 kB] Get: 251 http://deb.debian.org/debian trixie/main arm64 python3-lz4 arm64 4.4.0+dfsg-1+b1 [25.6 kB] Get: 252 http://deb.debian.org/debian trixie/main arm64 python3-scipy arm64 1.14.1-4+b1 [15.8 MB] Get: 253 http://deb.debian.org/debian trixie/main arm64 python3-mpmath all 1.3.0-1 [419 kB] Get: 254 http://deb.debian.org/debian trixie/main arm64 python3-sympy all 1.13.3-5 [4148 kB] Get: 255 http://deb.debian.org/debian trixie/main arm64 python3-ufolib2 all 0.17.0+dfsg1-1 [33.0 kB] Get: 256 http://deb.debian.org/debian trixie/main arm64 python3-unicodedata2 arm64 15.1.0+ds-1+b5 [298 kB] Get: 257 http://deb.debian.org/debian trixie/main arm64 unicode-data all 15.1.0-1 [8547 kB] Get: 258 http://deb.debian.org/debian trixie/main arm64 python3-fonttools arm64 4.55.3-2+b1 [1381 kB] Get: 259 http://deb.debian.org/debian trixie/main arm64 python3-h5py-serial arm64 3.13.0-1+b1 [953 kB] Get: 260 http://deb.debian.org/debian trixie/main arm64 python3-h5py all 3.13.0-1 [15.0 kB] Get: 261 http://deb.debian.org/debian trixie/main arm64 python3-more-itertools all 10.6.0-1 [65.3 kB] Get: 262 http://deb.debian.org/debian trixie/main arm64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 263 http://deb.debian.org/debian trixie/main arm64 python3-typeguard all 4.4.2-1 [37.3 kB] Get: 264 http://deb.debian.org/debian trixie/main arm64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 265 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 266 http://deb.debian.org/debian trixie/main arm64 python3-pkg-resources all 75.8.0-1 [222 kB] Get: 267 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.text all 4.0.0-1 [11.4 kB] Get: 268 http://deb.debian.org/debian trixie/main arm64 python3-zipp all 3.21.0-1 [10.6 kB] Get: 269 http://deb.debian.org/debian trixie/main arm64 python3-setuptools all 75.8.0-1 [724 kB] Get: 270 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.context all 6.0.1-1 [8276 B] Get: 271 http://deb.debian.org/debian trixie/main arm64 python3-kiwisolver arm64 1.4.7-3+b1 [57.8 kB] Get: 272 http://deb.debian.org/debian trixie/main arm64 python3-pil arm64 11.1.0-5+b1 [495 kB] Get: 273 http://deb.debian.org/debian trixie/main arm64 python3.12-tk arm64 3.12.9-1 [111 kB] Get: 274 http://deb.debian.org/debian trixie/main arm64 python3.13-tk arm64 3.13.2-1 [102 kB] Get: 275 http://deb.debian.org/debian trixie/main arm64 python3-tk arm64 3.13.1-1+b1 [9756 B] Get: 276 http://deb.debian.org/debian trixie/main arm64 python3-pil.imagetk arm64 11.1.0-5+b1 [81.8 kB] Get: 277 http://deb.debian.org/debian trixie/main arm64 python3-pyparsing all 3.1.2-1 [146 kB] Get: 278 http://deb.debian.org/debian trixie/main arm64 python3-packaging all 24.2-1 [55.3 kB] Get: 279 http://deb.debian.org/debian trixie/main arm64 python3-matplotlib arm64 3.8.3-7+b1 [22.9 MB] Get: 280 http://deb.debian.org/debian trixie/main arm64 quilt all 0.68-1 [437 kB] Get: 281 http://deb.debian.org/debian trixie/main arm64 swig arm64 4.3.0-1 [1406 kB] Fetched 222 MB in 2s (112 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.13-minimal:arm64. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19914 files and directories currently installed.) Preparing to unpack .../libpython3.13-minimal_3.13.2-1_arm64.deb ... Unpacking libpython3.13-minimal:arm64 (3.13.2-1) ... Selecting previously unselected package libexpat1:arm64. Preparing to unpack .../libexpat1_2.6.4-1_arm64.deb ... Unpacking libexpat1:arm64 (2.6.4-1) ... Selecting previously unselected package python3.13-minimal. Preparing to unpack .../python3.13-minimal_3.13.2-1_arm64.deb ... Unpacking python3.13-minimal (3.13.2-1) ... Setting up libpython3.13-minimal:arm64 (3.13.2-1) ... Setting up libexpat1:arm64 (2.6.4-1) ... Setting up python3.13-minimal (3.13.2-1) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20248 files and directories currently installed.) Preparing to unpack .../0-python3-minimal_3.13.2-1_arm64.deb ... Unpacking python3-minimal (3.13.2-1) ... Selecting previously unselected package media-types. Preparing to unpack .../1-media-types_12.0.0_all.deb ... Unpacking media-types (12.0.0) ... Selecting previously unselected package netbase. Preparing to unpack .../2-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... Selecting previously unselected package tzdata. Preparing to unpack .../3-tzdata_2025a-2_all.deb ... Unpacking tzdata (2025a-2) ... Selecting previously unselected package libffi8:arm64. Preparing to unpack .../4-libffi8_3.4.7-1_arm64.deb ... Unpacking libffi8:arm64 (3.4.7-1) ... Selecting previously unselected package readline-common. Preparing to unpack .../5-readline-common_8.2-6_all.deb ... Unpacking readline-common (8.2-6) ... Selecting previously unselected package libreadline8t64:arm64. Preparing to unpack .../6-libreadline8t64_8.2-6_arm64.deb ... Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8 to /lib/aarch64-linux-gnu/libhistory.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libhistory.so.8.2 to /lib/aarch64-linux-gnu/libhistory.so.8.2.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8 to /lib/aarch64-linux-gnu/libreadline.so.8.usr-is-merged by libreadline8t64' Adding 'diversion of /lib/aarch64-linux-gnu/libreadline.so.8.2 to /lib/aarch64-linux-gnu/libreadline.so.8.2.usr-is-merged by libreadline8t64' Unpacking libreadline8t64:arm64 (8.2-6) ... Selecting previously unselected package libpython3.13-stdlib:arm64. Preparing to unpack .../7-libpython3.13-stdlib_3.13.2-1_arm64.deb ... Unpacking libpython3.13-stdlib:arm64 (3.13.2-1) ... Selecting previously unselected package python3.13. Preparing to unpack .../8-python3.13_3.13.2-1_arm64.deb ... Unpacking python3.13 (3.13.2-1) ... Selecting previously unselected package libpython3-stdlib:arm64. Preparing to unpack .../9-libpython3-stdlib_3.13.2-1_arm64.deb ... Unpacking libpython3-stdlib:arm64 (3.13.2-1) ... Setting up python3-minimal (3.13.2-1) ... Selecting previously unselected package python3. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21258 files and directories currently installed.) Preparing to unpack .../000-python3_3.13.2-1_arm64.deb ... Unpacking python3 (3.13.2-1) ... Selecting previously unselected package python3-numpy-dev:arm64. Preparing to unpack .../001-python3-numpy-dev_1%3a2.2.3+ds-2+b1_arm64.deb ... Unpacking python3-numpy-dev:arm64 (1:2.2.3+ds-2+b1) ... Selecting previously unselected package libblas3:arm64. Preparing to unpack .../002-libblas3_3.12.1-2_arm64.deb ... Unpacking libblas3:arm64 (3.12.1-2) ... Selecting previously unselected package libgfortran5:arm64. Preparing to unpack .../003-libgfortran5_14.2.0-17_arm64.deb ... Unpacking libgfortran5:arm64 (14.2.0-17) ... Selecting previously unselected package liblapack3:arm64. Preparing to unpack .../004-liblapack3_3.12.1-2_arm64.deb ... Unpacking liblapack3:arm64 (3.12.1-2) ... Selecting previously unselected package python3-numpy. Preparing to unpack .../005-python3-numpy_1%3a2.2.3+ds-2+b1_arm64.deb ... Unpacking python3-numpy (1:2.2.3+ds-2+b1) ... Selecting previously unselected package sensible-utils. Preparing to unpack .../006-sensible-utils_0.0.24_all.deb ... Unpacking sensible-utils (0.0.24) ... Selecting previously unselected package libmagic-mgc. Preparing to unpack .../007-libmagic-mgc_1%3a5.45-3+b1_arm64.deb ... Unpacking libmagic-mgc (1:5.45-3+b1) ... Selecting previously unselected package libmagic1t64:arm64. Preparing to unpack .../008-libmagic1t64_1%3a5.45-3+b1_arm64.deb ... Unpacking libmagic1t64:arm64 (1:5.45-3+b1) ... Selecting previously unselected package file. Preparing to unpack .../009-file_1%3a5.45-3+b1_arm64.deb ... Unpacking file (1:5.45-3+b1) ... Selecting previously unselected package gettext-base. Preparing to unpack .../010-gettext-base_0.23.1-1_arm64.deb ... Unpacking gettext-base (0.23.1-1) ... Selecting previously unselected package libuchardet0:arm64. Preparing to unpack .../011-libuchardet0_0.0.8-1+b2_arm64.deb ... Unpacking libuchardet0:arm64 (0.0.8-1+b2) ... Selecting previously unselected package groff-base. Preparing to unpack .../012-groff-base_1.23.0-7_arm64.deb ... Unpacking groff-base (1.23.0-7) ... Selecting previously unselected package bsdextrautils. Preparing to unpack .../013-bsdextrautils_2.40.4-5_arm64.deb ... Unpacking bsdextrautils (2.40.4-5) ... Selecting previously unselected package libpipeline1:arm64. Preparing to unpack .../014-libpipeline1_1.5.8-1_arm64.deb ... Unpacking libpipeline1:arm64 (1.5.8-1) ... Selecting previously unselected package man-db. Preparing to unpack .../015-man-db_2.13.0-1_arm64.deb ... Unpacking man-db (2.13.0-1) ... Selecting previously unselected package architecture-properties:arm64. Preparing to unpack .../016-architecture-properties_0.2.6_arm64.deb ... Unpacking architecture-properties:arm64 (0.2.6) ... Selecting previously unselected package m4. Preparing to unpack .../017-m4_1.4.19-7_arm64.deb ... Unpacking m4 (1.4.19-7) ... Selecting previously unselected package autoconf. Preparing to unpack .../018-autoconf_2.72-3_all.deb ... Unpacking autoconf (2.72-3) ... Selecting previously unselected package autotools-dev. 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Preparing to unpack .../025-libfreetype6_2.13.3+dfsg-1_arm64.deb ... Unpacking libfreetype6:arm64 (2.13.3+dfsg-1) ... Selecting previously unselected package fonts-dejavu-mono. Preparing to unpack .../026-fonts-dejavu-mono_2.37-8_all.deb ... Unpacking fonts-dejavu-mono (2.37-8) ... Selecting previously unselected package fonts-dejavu-core. Preparing to unpack .../027-fonts-dejavu-core_2.37-8_all.deb ... Unpacking fonts-dejavu-core (2.37-8) ... Selecting previously unselected package fontconfig-config. Preparing to unpack .../028-fontconfig-config_2.15.0-2_arm64.deb ... Unpacking fontconfig-config (2.15.0-2) ... Selecting previously unselected package libfontconfig1:arm64. Preparing to unpack .../029-libfontconfig1_2.15.0-2_arm64.deb ... Unpacking libfontconfig1:arm64 (2.15.0-2) ... Selecting previously unselected package libxau6:arm64. Preparing to unpack .../030-libxau6_1%3a1.0.11-1_arm64.deb ... Unpacking libxau6:arm64 (1:1.0.11-1) ... 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Setting up libxml2:arm64 (2.12.7+dfsg+really2.9.14-0.2+b2) ... Setting up libldap2:arm64 (2.6.9+dfsg-1) ... Setting up libbrotli-dev:arm64 (1.1.0-2+b7) ... Setting up chrpath (0.18-1) ... Setting up libblas-dev:arm64 (3.12.1-2) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so to provide /usr/lib/aarch64-linux-gnu/libblas.so (libblas.so-aarch64-linux-gnu) in auto mode Setting up libsz2:arm64 (1.1.3-1+b1) ... Setting up libjs-underscore (1.13.4~dfsg+~1.11.4-3) ... Setting up automake (1:1.17-3) ... update-alternatives: using /usr/bin/automake-1.17 to provide /usr/bin/automake (automake) in auto mode Setting up libgfortran-14-dev:arm64 (14.2.0-17) ... Setting up libfile-stripnondeterminism-perl (1.14.1-2) ... 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Setting up pkgconf:arm64 (1.8.1-4) ... Setting up intltool-debian (0.35.0+20060710.6) ... Setting up libnl-route-3-200:arm64 (3.7.0-0.3+b1) ... Setting up libxnvctrl0:arm64 (535.171.04-1+b2) ... Setting up dh-autoreconf (20) ... Setting up libltdl-dev:arm64 (2.5.4-3) ... Setting up libglib2.0-0t64:arm64 (2.83.4-1) ... No schema files found: doing nothing. Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... Setting up libllvm17t64:arm64 (1:17.0.6-21) ... Setting up libfreetype6:arm64 (2.13.3+dfsg-1) ... Setting up libldap-dev:arm64 (2.6.9+dfsg-1) ... Setting up libp11-kit0:arm64 (0.25.5-3) ... Setting up liblapack-dev:arm64 (3.12.1-2) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so to provide /usr/lib/aarch64-linux-gnu/liblapack.so (liblapack.so-aarch64-linux-gnu) in auto mode Setting up libgssapi-krb5-2:arm64 (1.21.3-4) ... Setting up libssh2-1-dev:arm64 (1.11.1-1) ... Setting up libidn2-dev:arm64 (2.3.7-2+b1) ... Setting up libjs-sphinxdoc (8.1.3-5) ... Setting up libharminv3 (1.4.2-1+b1) ... Setting up libreadline8t64:arm64 (8.2-6) ... Setting up dh-strip-nondeterminism (1.14.1-2) ... Setting up libdrm2:arm64 (2.4.124-1) ... Setting up groff-base (1.23.0-7) ... Setting up gfortran-14-aarch64-linux-gnu (14.2.0-17) ... Setting up libxslt1.1:arm64 (1.1.35-1.1+b1) ... Setting up libharfbuzz0b:arm64 (10.2.0-1) ... Setting up gfortran-aarch64-linux-gnu (4:14.2.0-1) ... Setting up libamd-comgr2:arm64 (6.0+git20231212.4510c28+dfsg-3+b2) ... Setting up libxss1:arm64 (1:1.2.3-1+b3) ... Setting up libfontconfig1:arm64 (2.15.0-2) ... Setting up gfortran-14 (14.2.0-17) ... Setting up libharminv-dev (1.4.2-1+b1) ... Setting up libpython3.13-stdlib:arm64 (3.13.2-1) ... Setting up libfftw3-dev:arm64 (3.3.10-2+b1) ... Setting up libp11-kit-dev:arm64 (0.25.5-3) ... Setting up libpython3-stdlib:arm64 (3.13.2-1) ... Setting up liblbfgsb0:arm64 (3.0+dfsg.4-1+b2) ... Setting up libdrm-amdgpu1:arm64 (2.4.124-1) ... Setting up libpython3.13:arm64 (3.13.2-1) ... Setting up libgnutls30t64:arm64 (3.8.9-2) ... Setting up libgnutls-openssl27t64:arm64 (3.8.9-2) ... Setting up libnghttp2-dev:arm64 (1.64.0-1) ... Setting up libibverbs1:arm64 (55.0-1) ... Setting up libxft2:arm64 (2.3.6-1+b4) ... Setting up ibverbs-providers:arm64 (55.0-1) ... Setting up python3.13 (3.13.2-1) ... Setting up guile-3.0-libs:arm64 (3.0.10+really3.0.10-4) ... Setting up po-debconf (1.0.21+nmu1) ... Setting up libtk8.6:arm64 (8.6.16-1) ... Setting up python3.12-tk (3.12.9-1) ... Setting up libpsl5t64:arm64 (0.21.2-1.1+b1) ... Setting up libctl7t64:arm64 (4.5.1-3) ... Setting up python3 (3.13.2-1) ... Setting up libreadline-dev:arm64 (8.2-6) ... Setting up python3-zipp (3.21.0-1) ... Setting up python3-autocommand (2.2.2-3) ... Setting up libhwloc-plugins:arm64 (2.12.0-1) ... Setting up man-db (2.13.0-1) ... Not building database; man-db/auto-update is not 'true'. Setting up gfortran (4:14.2.0-1) ... update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f95 (f95) in auto mode update-alternatives: using /usr/bin/gfortran to provide /usr/bin/f77 (f77) in auto mode Setting up python3.13-tk (3.13.2-1) ... Setting up python3-platformdirs (4.3.6-1) ... Setting up libpsl-dev:arm64 (0.21.2-1.1+b1) ... Setting up python3-decorator (5.1.1-5) ... Setting up python3-packaging (24.2-1) ... Setting up python3-pyparsing (3.1.2-1) ... Setting up libgnutls-dane0t64:arm64 (3.8.9-2) ... Setting up librtmp1:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libgssrpc4t64:arm64 (1.21.3-4) ... Setting up python3-brotli (1.1.0-2+b7) ... Setting up libraqm0:arm64 (0.10.2-1) ... Setting up libpython3.13-dev:arm64 (3.13.2-1) ... Setting up python3-cycler (0.12.1-1) ... Setting up python3-kiwisolver (1.4.7-3+b1) ... Setting up python3-typing-extensions (4.12.2-2) ... Setting up libpmix2t64:arm64 (5.0.6-3) ... Setting up python3-numpy (1:2.2.3+ds-2+b1) ... Setting up python3-lxml:arm64 (5.3.1-1+b1) ... Setting up librdmacm1t64:arm64 (55.0-1) ... Setting up python3-dateutil (2.9.0-3) ... Setting up python3-contourpy (1.3.1-1+b1) ... Setting up python3-mpmath (1.3.0-1) ... Setting up guile-3.0 (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/guile/3.0/bin/guile to provide /usr/bin/guile (guile) in auto mode Setting up libhsakmt1:arm64 (6.2.4+ds-1) ... Setting up libkadm5clnt-mit12:arm64 (1.21.3-4) ... Setting up libgnutls28-dev:arm64 (3.8.9-2) ... Setting up python3-more-itertools (10.6.0-1) ... Setting up libfabric1:arm64 (1.17.0-3.1) ... Setting up python3-sympy (1.13.3-5) ... Setting up python3-attr (25.1.0-1) ... Setting up tk8.6-blt2.5 (2.5.3+dfsg-7+b1) ... Setting up python3-scipy (1.14.1-4+b1) ... Setting up libpython3-dev:arm64 (3.13.2-1) ... Setting up python3-jaraco.functools (4.1.0-1) ... Setting up python3-jaraco.context (6.0.1-1) ... Setting up libcurl4t64:arm64 (8.12.1-3) ... Setting up libkdb5-10t64:arm64 (1.21.3-4) ... Setting up python3-lz4 (4.4.0+dfsg-1+b1) ... Setting up python3.13-dev (3.13.2-1) ... Setting up python3-unicodedata2 (15.1.0+ds-1+b5) ... Setting up blt (2.5.3+dfsg-7+b1) ... Setting up python3-typeguard (4.4.2-1) ... Setting up python3-tk:arm64 (3.13.1-1+b1) ... Setting up debhelper (13.24.1) ... Setting up python3-pytz (2025.1-3) ... Setting up python3-tz (2025.1-3) ... Setting up python3-fs (2.4.16-6) ... Setting up python3-pil:arm64 (11.1.0-5+b1) ... Setting up python3-inflect (7.3.1-2) ... Setting up python3-pil.imagetk:arm64 (11.1.0-5+b1) ... Setting up python3-jaraco.text (4.0.0-1) ... Setting up python3-dev (3.13.2-1) ... Setting up librtmp-dev:arm64 (2.4+20151223.gitfa8646d.1-2+b5) ... Setting up libhdf5-310:arm64 (1.14.5+repack-3) ... Setting up libhsa-runtime64-1:arm64 (6.1.2-3) ... Setting up libkadm5srv-mit12:arm64 (1.21.3-4) ... Setting up guile-3.0-dev (3.0.10+really3.0.10-4) ... update-alternatives: using /usr/bin/guile-config-3.0 to provide /usr/bin/guile-config (guile-config) in auto mode update-alternatives: using /usr/share/aclocal/guile-3.0.m4 to provide /usr/share/aclocal/guile.m4 (guile-autoconf-macros) in auto mode Setting up libhdf5-fortran-310:arm64 (1.14.5+repack-3) ... Setting up krb5-multidev:arm64 (1.21.3-4) ... Setting up libhdf5-cpp-310:arm64 (1.14.5+repack-3) ... Setting up python3-pkg-resources (75.8.0-1) ... Setting up libhdf5-hl-310:arm64 (1.14.5+repack-3) ... Setting up python3-setuptools (75.8.0-1) ... Setting up python3-h5py-serial (3.13.0-1+b1) ... Setting up libctl-dev:arm64 (4.5.1-3) ... Setting up libkrb5-dev:arm64 (1.21.3-4) ... Setting up libamdhip64-5 (5.7.1-5+b1) ... Setting up libcurl4-openssl-dev:arm64 (8.12.1-3) ... Setting up python3-h5py (3.13.0-1) ... Setting up libhdf5-hl-cpp-310:arm64 (1.14.5+repack-3) ... Setting up libhdf5-hl-fortran-310:arm64 (1.14.5+repack-3) ... Setting up libucx0:arm64 (1.17.0+ds-3) ... Setting up libhdf5-dev (1.14.5+repack-3) ... update-alternatives: using /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5-serial.pc to provide /usr/lib/aarch64-linux-gnu/pkgconfig/hdf5.pc (hdf5.pc) in auto mode Setting up libopenmpi40:arm64 (5.0.7-1) ... Setting up libhdf5-openmpi-310:arm64 (1.14.5+repack-3) ... Setting up mpb (1.11.1-6+b2) ... Setting up python3-fonttools (4.55.3-2+b1) ... Setting up python3-ufolib2 (0.17.0+dfsg1-1) ... Setting up python3-matplotlib (3.8.3-7+b1) ... Processing triggers for libc-bin (2.40-7) ... Reading package lists... Building dependency tree... Reading state information... Reading extended state information... Initializing package states... Writing extended state information... Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/meep-1.29.0/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../meep_1.29.0-1_source.changes dpkg-buildpackage: info: source package meep dpkg-buildpackage: info: source version 1.29.0-1 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Thorsten Alteholz dpkg-source --before-build . dpkg-buildpackage: info: host architecture arm64 debian/rules clean dh clean --with autoreconf debian/rules override_dh_clean make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # we do not need this anymore rm -f tests/latest_output dh_clean make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules binary dh binary --with autoreconf dh_update_autotools_config dh_autoreconf libtoolize: putting auxiliary files in '.'. libtoolize: copying file './ltmain.sh' libtoolize: putting macros in AC_CONFIG_MACRO_DIRS, 'm4'. libtoolize: copying file 'm4/libtool.m4' libtoolize: copying file 'm4/ltoptions.m4' libtoolize: copying file 'm4/ltsugar.m4' libtoolize: copying file 'm4/ltversion.m4' libtoolize: copying file 'm4/lt~obsolete.m4' configure.ac:74: warning: The macro 'AC_TRY_COMPILE' is obsolete. configure.ac:74: You should run autoupdate. ./lib/autoconf/general.m4:2845: AC_TRY_COMPILE is expanded from... m4/ax_mpi.m4:69: AX_MPI is expanded from... configure.ac:74: the top level configure.ac:64: installing './compile' configure.ac:109: installing './config.guess' configure.ac:109: installing './config.sub' configure.ac:12: installing './install-sh' configure.ac:12: installing './missing' libpympb/Makefile.am: installing './depcomp' python/Makefile.am:236: installing './py-compile' parallel-tests: installing './test-driver' debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' # the latest patch is only needed on architectures without SSE or other special stuff if [ "arm64" = "i386" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "all patches needed, do nothing here"; \ else \ echo "we don't need the last patch"; \ quilt pop; \ fi we don't need the last patch Removing patch debian/patches/i386-fix.patch Restoring src/mympi.cpp Now at patch debian/patches/python-distutils.patch F77=gfortran dh_auto_configure -- --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode ./configure --build=aarch64-linux-gnu --prefix=/usr --includedir=\${prefix}/include --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --sysconfdir=/etc --localstatedir=/var --disable-option-checking --disable-silent-rules --libdir=\${prefix}/lib/aarch64-linux-gnu --runstatedir=/run --disable-maintainer-mode --disable-dependency-tracking --host=aarch64-linux-gnu --build=aarch64-linux-gnu --prefix=/usr --mandir=\${prefix}/share/man --infodir=\${prefix}/share/info --with-libctl=/usr/share/libctl --with-gcc-arch=no --enable-shared --with-pic --enable-cxx --enable-maintainer-mode checking for a BSD-compatible install... /usr/bin/install -c checking whether sleep supports fractional seconds... yes checking filesystem timestamp resolution... 0.01 checking whether build environment is sane... yes checking for a race-free mkdir -p... /usr/bin/mkdir -p checking for gawk... no checking for mawk... mawk checking whether make sets $(MAKE)... yes checking whether make supports nested variables... yes checking xargs -n works... yes checking whether to enable maintainer-specific portions of Makefiles... yes checking for aarch64-linux-gnu-gcc... aarch64-linux-gnu-gcc checking whether the C compiler works... yes checking for C compiler default output file name... a.out checking for suffix of executables... checking whether we are cross compiling... no checking for suffix of object files... o checking whether the compiler supports GNU C... yes checking whether aarch64-linux-gnu-gcc accepts -g... yes checking for aarch64-linux-gnu-gcc option to enable C11 features... none needed checking whether aarch64-linux-gnu-gcc understands -c and -o together... yes checking whether make supports the include directive... yes (GNU style) checking dependency style of aarch64-linux-gnu-gcc... none checking for aarch64-linux-gnu-g++... aarch64-linux-gnu-g++ checking whether the compiler supports GNU C++... yes checking whether aarch64-linux-gnu-g++ accepts -g... yes checking for aarch64-linux-gnu-g++ option to enable C++11 features... none needed checking dependency style of aarch64-linux-gnu-g++... none checking whether aarch64-linux-gnu-g++ supports C++11 features by default... yes checking build system type... aarch64-unknown-linux-gnu checking host system type... aarch64-unknown-linux-gnu checking for C++ compiler vendor... gnu checking how to print strings... printf checking for a sed that does not truncate output... /usr/bin/sed checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for fgrep... /usr/bin/grep -F checking for ld used by aarch64-linux-gnu-gcc... /usr/bin/ld checking if the linker (/usr/bin/ld) is GNU ld... yes checking for BSD- or MS-compatible name lister (nm)... /usr/bin/aarch64-linux-gnu-nm -B checking the name lister (/usr/bin/aarch64-linux-gnu-nm -B) interface... BSD nm checking whether ln -s works... yes checking the maximum length of command line arguments... 1572864 checking how to convert aarch64-unknown-linux-gnu file names to aarch64-unknown-linux-gnu format... func_convert_file_noop checking how to convert aarch64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop checking for /usr/bin/ld option to reload object files... -r checking for file... file checking for aarch64-linux-gnu-objdump... aarch64-linux-gnu-objdump checking how to recognize dependent libraries... pass_all checking for aarch64-linux-gnu-dlltool... no checking for dlltool... no checking how to associate runtime and link libraries... printf %s\n checking for aarch64-linux-gnu-ranlib... aarch64-linux-gnu-ranlib checking for aarch64-linux-gnu-ar... aarch64-linux-gnu-ar checking for archiver @FILE support... @ checking for aarch64-linux-gnu-strip... aarch64-linux-gnu-strip checking command to parse /usr/bin/aarch64-linux-gnu-nm -B output from aarch64-linux-gnu-gcc object... ok checking for sysroot... no checking for a working dd... /usr/bin/dd checking how to truncate binary pipes... /usr/bin/dd bs=4096 count=1 checking for aarch64-linux-gnu-mt... no checking for mt... no checking if : is a manifest tool... no checking for stdio.h... yes checking for stdlib.h... yes checking for string.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for strings.h... yes checking for sys/stat.h... yes checking for sys/types.h... yes checking for unistd.h... yes checking for dlfcn.h... yes checking for objdir... .libs checking if aarch64-linux-gnu-gcc supports -fno-rtti -fno-exceptions... no checking for aarch64-linux-gnu-gcc option to produce PIC... -fPIC -DPIC checking if aarch64-linux-gnu-gcc PIC flag -fPIC -DPIC works... yes checking if aarch64-linux-gnu-gcc static flag -static works... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... yes checking if aarch64-linux-gnu-gcc supports -c -o file.o... 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(cached) yes checking whether the gfortran linker (/usr/bin/ld) supports shared libraries... yes checking dynamic linker characteristics... (cached) GNU/Linux ld.so checking how to hardcode library paths into programs... immediate checking how to get verbose linking output from gfortran... -v checking for Fortran 77 libraries of gfortran... -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm checking for dummy main to link with Fortran 77 libraries... none checking for Fortran 77 name-mangling scheme... lower case, underscore, no extra underscore checking if sgemm_ is being linked in already... no checking for sgemm_ in -lopenblas... no checking for ATL_xerbla in -latlas... no checking for sgemm_ in -lblas... yes checking for dgemm_ in -ldgemm... no checking for sgemm_ in -lmkl... no checking for sgemm_ in -framework vecLib... no checking for sgemm_ in -lcxml... no checking for sgemm_ in -ldxml... no checking for sgemm_ in -lscs... no checking for sgemm_ in -lcomplib.sgimath... no checking for sgemm_ in -lblas... 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(cached) yes checking for cheev_... no checking for cheev_ in -llapack... yes checking for pkg-config... /usr/bin/pkg-config checking for harminv >= 1.1... yes checking HARMINV_CFLAGS... checking HARMINV_LIBS... -lharminv checking for mpb.h... yes checking for maxwell_target_operator1 in -lmpb... yes checking for cos in -lm... yes checking for cblas_dgemm in -lgslcblas... yes checking for gsl_sf_bessel_Jn in -lgsl... yes checking for deflate in -lz... yes checking for H5Pcreate in -lhdf5... yes checking for H5Pcreate... yes checking for hdf5.h... yes checking for H5Pset_mpi... no checking for H5Pset_fapl_mpio... no checking for guile-config... guile-config checking if linking to guile works... yes checking for libguile.h... yes checking for guile/gh.h... no checking for scm_make_smob_type... yes checking for SCM_SMOB_PREDICATE... no checking for SCM_SMOB_DATA... no checking for SCM_NEWSMOB... no checking how to activate readline in Guile... ice-9 readline checking for libctl dir... /usr/share/libctl checking for gen-ctl-io... gen-ctl-io checking for ctl_get_vector3 in -lctl... yes checking for ctl.h... yes checking whether libctl version is at least 4.2.0... checking for egrep -e... (cached) /usr/bin/grep -E ok checking for libctl_quiet feature... yes checking for vector3_dot in -lctlgeom... yes checking for libGDSII.h... yes checking for libGDSIIExists in -lGDSII... yes checking for libGDSII::GetLayers... no checking for feenableexcept... yes checking whether feenableexcept declaration is usable... yes checking whether to catch and ignore SIGFPE signals... yes checking for sys/time.h... yes checking for immintrin.h... no checking for BSDgettimeofday... no checking for gettimeofday... yes checking for cblas_ddot... yes checking for cblas_daxpy... yes checking for jn... yes checking for C/C++ restrict keyword... no checking for swig... swig checking for python... no checking for python3... /usr/bin/python3 checking for python version... 3.13 checking for python platform... linux checking for GNU default python prefix... ${prefix} checking for GNU default python exec_prefix... ${exec_prefix} checking for python script directory (pythondir)... ${PYTHON_PREFIX}/lib/python3.13/site-packages checking for python extension module directory (pyexecdir)... ${PYTHON_EXEC_PREFIX}/lib/python3.13/site-packages checking for Python include directory... /usr/include/python3.13 checking for Python.h... yes checking for Numpy include directory... /usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include checking for numpy/arrayobject.h... yes checking that generated files are newer than configure... done configure: creating ./config.status config.status: creating scheme/Makefile config.status: creating scheme/meep.scm config.status: creating libpympb/Makefile config.status: creating python/Makefile config.status: creating Makefile config.status: creating meep-pkgconfig config.status: creating src/Makefile config.status: creating src/support/Makefile config.status: creating tests/Makefile config.status: creating src/meep/meep-config.h config.status: creating config.h config.status: executing depfiles commands config.status: executing libtool commands make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_auto_build make -j12 make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' make all-recursive make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making all in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make sphere_quad make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o sphere-quad.o sphere-quad.cpp (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; sed 's/LOOP_OVER/S1LOOP_OVER/g' ../src/step_generic.cpp | sed 's/step_curl/step_curl_stride1/' | sed 's/step_update_EDHB/step_update_EDHB_stride1/' | sed 's/step_beta/step_beta_stride1/'| sed 's/step_bfast/step_bfast_stride1/') > step_generic_stride1.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o sphere_quad sphere-quad.o -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' (echo "/* This file was automatically generated --- DO NOT EDIT */"; echo; ../src/sphere_quad) > sphere-quad.h make all-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making all in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' /bin/bash ../../libtool --tag=CC --mode=compile aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c -o mt19937ar.lo mt19937ar.c libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o .libs/mt19937ar.o libtool: compile: aarch64-linux-gnu-gcc -DHAVE_CONFIG_H -I. -I../.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -c mt19937ar.c -fPIC -DPIC -o mt19937ar.o >/dev/null 2>&1 /bin/bash ../../libtool --tag=CC --mode=link aarch64-linux-gnu-gcc -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libsupport.la mt19937ar.lo -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-ar cr .libs/libsupport.a .libs/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libsupport.a libtool: link: ( cd ".libs" && rm -f "libsupport.la" && ln -s "../libsupport.la" "libsupport.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array_slice.lo array_slice.cpp /bin/bash 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-c mympi.cpp -fPIC -DPIC -o .libs/mympi.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c multilevel-atom.cpp -fPIC -DPIC -o .libs/multilevel-atom.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o output_directory.lo output_directory.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o .libs/near2far.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c output_directory.cpp -fPIC -DPIC -o .libs/output_directory.o monitor.cpp: In member function 'std::complex meep::structure_chunk::get_chi1inv_at_pt(meep::component, meep::direction, int, double) const': monitor.cpp:327:19: warning: 'comp_list' may be used uninitialized [-Wmaybe-uninitialized] 327 | component cc = comp_list[com_it]; | ^~ monitor.cpp:274:15: note: 'comp_list' declared here 274 | component comp_list[3]; | ^~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c material_data.cpp -fPIC -DPIC -o material_data.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o random.lo random.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c monitor.cpp -fPIC -DPIC -o monitor.o >/dev/null 2>&1 mympi.cpp: In function 'meep::ivec meep::max_to_all(const ivec&)': mympi.cpp:408:7: warning: variable 'in' set but not used [-Wunused-but-set-variable] 408 | int in[5], out[5]; | ^~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c integrate2.cpp -fPIC -DPIC -o integrate2.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c random.cpp -fPIC -DPIC -o .libs/random.o mympi.cpp: In function 'void meep::abort(const char*, ...)': mympi.cpp:248:12: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 248 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ mympi.cpp: In function 'void meep::_do_master_printf(FILE*, meep_printf_callback_func, const char*, va_list)': mympi.cpp:692:16: warning: ignoring return value of 'int vasprintf(char**, const char*, __gnuc_va_list)' declared with attribute 'warn_unused_result' [-Wunused-result] 692 | vasprintf(&s, fmt, ap); | ~~~~~~~~~^~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:115:35: warning: '-out' directive output may be truncated writing 4 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 115 | snprintf(outdirname, buflen, "%s-out", basename); | ^~~~ In file included from /usr/include/stdio.h:970, from output_directory.cpp:18: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:115:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 5 and 304 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:124:36: warning: '%s' directive output may be truncated writing up to 299 bytes into a region of size between 0 and 299 [-Wformat-truncation=] 124 | snprintf(outsrcname, buflen, "%s/%s", outdirname, sourcename); | ^~ ~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:124:11: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 2 and 600 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ output_directory.cpp: In function 'const char* meep::make_output_directory(const char*, const char*)': output_directory.cpp:120:39: warning: '-out-' directive output may be truncated writing 5 bytes into a region of size between 1 and 300 [-Wformat-truncation=] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~ output_directory.cpp:120:36: note: directive argument in the range [0, 2147483647] 120 | snprintf(outdirname, buflen, "%s-out-%d", basename, i++); | ^~~~~~~~~~~ In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'const char* meep::make_output_directory(const char*, const char*)' at output_directory.cpp:120:15: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 7 and 315 bytes into a destination of size 300 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial 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-Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_db.lo step_db.cpp In file included from sources.cpp:27: meep_internals.hpp: In constructor 'meep::src_vol::src_vol(meep::component, meep::src_time*, std::vector&&, std::vector >&&, bool)': meep_internals.hpp:81:38: warning: 'meep::src_vol::amp' will be initialized after [-Wreorder] 81 | std::vector > amp; // amplitudes | ^~~ meep_internals.hpp:77:8: warning: 'bool meep::src_vol::needs_boundary_fix' [-Wreorder] 77 | bool needs_boundary_fix; // whether fix_boundary_sources needs calling | ^~~~~~~~~~~~~~~~~~ sources.cpp:168:1: warning: when initialized here [-Wreorder] 168 | src_vol::src_vol(component cc, src_time *st, std::vector &&ind, | ^~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o .libs/step.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o .libs/step_db.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o stress.lo stress.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure.lo structure.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o structure_dump.lo structure_dump.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o susceptibility.lo susceptibility.cpp step.cpp:144: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 144 | CHUNK_OPENMP /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o time.lo time.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o .libs/stress.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o .libs/structure_dump.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o .libs/susceptibility.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o .libs/structure.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_eh.lo update_eh.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o .libs/time.o susceptibility.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_VOL_OWNED(gv, c, i) { libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c near2far.cpp -fPIC -DPIC -o near2far.o >/dev/null 2>&1 susceptibility.cpp:242: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 242 | PLOOP_OVER_VOL_OWNED(gv, c, i) { susceptibility.cpp:252: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 252 | PLOOP_OVER_VOL_OWNED(gv, c, i) { libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o .libs/update_eh.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o mpb.lo mpb.cpp step_db.cpp: In member function 'bool meep::fields_chunk::step_db(meep::field_type)': step_db.cpp:189:19: warning: unused variable 'dk' [-Wunused-variable] 189 | const int dk = gv.iyee_shift(cc).in_direction(dsig); | ^~ step_db.cpp:192:19: warning: unused variable 'dku' [-Wunused-variable] 192 | const int dku = gv.iyee_shift(cc).in_direction(dsigu); | ^~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o update_pols.lo update_pols.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o .libs/mpb.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o .libs/update_pols.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step.cpp -fPIC -DPIC -o step.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c stress.cpp -fPIC -DPIC -o stress.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c sources.cpp -fPIC -DPIC -o sources.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_pols.cpp -fPIC -DPIC -o update_pols.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::dump(const char*, bool)': structure_dump.cpp:296:46: warning: '_' directive output may be truncated writing 1 byte into a region of size between 0 and 9 [-Wformat-truncation=] 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^ structure_dump.cpp:296:31: note: using the range [-2147483648, 2147483647] for directive argument 296 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from structure_dump.cpp:22: In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::dump(const char*, bool)' at structure_dump.cpp:296:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 43 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c update_eh.cpp -fPIC -DPIC -o update_eh.o >/dev/null 2>&1 structure_dump.cpp: In member function 'void meep::structure::load(const char*, bool)': structure_dump.cpp:748:44: warning: '%d' directive output may be truncated writing between 1 and 2 bytes into a region of size between 1 and 10 [-Wformat-truncation=] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~ structure_dump.cpp:748:31: note: directive argument in the range [0, 19] 748 | snprintf(dname, 20, "%c_%d_sigma_%d_%d", ft == 0 ? 'E' : 'H', i, c, d); | ^~~~~~~~~~~~~~~~~~~ structure_dump.cpp:748:31: note: directive argument in the range [0, 4] In function 'int snprintf(char*, size_t, const char*, ...)', inlined from 'void meep::structure::load(const char*, bool)' at structure_dump.cpp:748:19: /usr/include/aarch64-linux-gnu/bits/stdio2.h:68:35: note: '__builtin___snprintf_chk' output between 14 and 24 bytes into a destination of size 20 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o vec.lo vec.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c time.cpp -fPIC -DPIC -o time.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic.lo step_generic.cpp /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meepgeom.lo meepgeom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure_dump.cpp -fPIC -DPIC -o structure_dump.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb.cpp -fPIC -DPIC -o mpb.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o .libs/step_generic.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o .libs/vec.o /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o GDSIIgeom.lo GDSIIgeom.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c susceptibility.cpp -fPIC -DPIC -o susceptibility.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o .libs/meepgeom.o step_generic.cpp:90: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 90 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:96: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 96 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:103: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 103 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:108: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 108 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic.cpp:117: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 117 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:127: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 127 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:137: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 137 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:145: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 145 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:161: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 161 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:171: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 171 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:181: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 181 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:188: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 188 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:201: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 201 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:215: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 215 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:228: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 228 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:238: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 238 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:266: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 266 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:278: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 278 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:289: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 289 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:297: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 297 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:308: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 308 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:316: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 316 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:326: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 326 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic.cpp:329: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 329 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic.cpp:351: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 351 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:358: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 358 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:367: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 367 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:374: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 374 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:386: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 386 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:396: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 396 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:408: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 408 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:418: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 418 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:436: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 436 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:446: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 446 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:458: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 458 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:466: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 466 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:480: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 480 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:494: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 494 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:509: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 509 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:520: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 520 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:591: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 591 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:606: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 606 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:618: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 618 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:630: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 630 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:646: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 646 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:659: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 659 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:672: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 672 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:683: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 683 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:693: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 693 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:705: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 705 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:716: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 716 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:725: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 725 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:734: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 734 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:747: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 747 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:757: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 757 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:767: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 767 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:775: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 775 | PLOOP_OVER_IVECS(gv, is, ie, i) { step_generic.cpp:782: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 782 | PLOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o .libs/GDSIIgeom.o meepgeom.cpp:2959: warning: ignoring '#pragma unroll ' [-Wunknown-pragmas] 2959 | #pragma unroll /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o step_generic_stride1.lo step_generic_stride1.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o .libs/step_generic_stride1.o meepgeom.cpp: In copy constructor 'meep_geom::geom_epsilon::geom_epsilon(const meep_geom::geom_epsilon&)': meepgeom.cpp:711:1: warning: base class 'class meep::material_function' should be explicitly initialized in the copy constructor [-Wextra] 711 | geom_epsilon::geom_epsilon(const geom_epsilon &geps1) { | ^~~~~~~~~~~~ step_generic.cpp: In function 'void meep::step_bfast(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic.cpp:434:17: warning: unused variable 'dt2' [-Wunused-variable] 434 | realnum dt2 = dt * 0.5; | ^~~ step_generic.cpp:337:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 337 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic.cpp:338:27: warning: unused parameter 'sig' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:338:42: warning: unused parameter 'kap' [-Wunused-parameter] 338 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic.cpp:339:27: warning: unused parameter 'sigu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic.cpp:339:43: warning: unused parameter 'kapu' [-Wunused-parameter] 339 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ meepgeom.cpp: In function 'std::complex meep_geom::get_material_gradient(const meep::vec&, meep::component, meep::component, std::complex, double, geom_epsilon*, meep::grid_volume&, double, double*, int)': meepgeom.cpp:2685:46: warning: unused variable 'dA_du' [-Wunused-variable] 2685 | std::complex row_1[3], row_2[3], dA_du[3]; | ^~~~~ step_generic_stride1.cpp:92: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 92 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:92: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:98: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 98 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:98: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:105: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 105 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:105: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:110: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 110 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] -= dtdx * (g1[i + s1] - g1[i]); } step_generic_stride1.cpp:110: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:119: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 119 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:119: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:129: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 129 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:129: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:139: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 139 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:139: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:147: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 147 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:147: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:163: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 163 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:163: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:173: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 173 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:173: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:183: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 183 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:183: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:190: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 190 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:190: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:203: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 203 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:203: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:217: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 217 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:217: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:230: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 230 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:230: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:240: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 240 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:240: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:268: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 268 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:268: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:280: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 280 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:280: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:291: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 291 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:291: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:299: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 299 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:299: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:310: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 310 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:310: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:318: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 318 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:318: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:328: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 328 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i] * cndinv[i]; } step_generic_stride1.cpp:328: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:331: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 331 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] += betadt * g[i]; } step_generic_stride1.cpp:331: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:353: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 353 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:353: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:360: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 360 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:360: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:369: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 369 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:369: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient(double*, size_t, size_t, std::vector, std::vector, double*, double, meep::grid_volume&, geom_epsilon*, double)': meepgeom.cpp:2838:21: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2838 | for (int i = 0; i < ng * nf; i++) { | ~~^~~~~~~~~ step_generic_stride1.cpp:376: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 376 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:376: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:388: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 388 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:388: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:398: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 398 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:398: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:410: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 410 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:410: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:420: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 420 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:420: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:438: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 438 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:438: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:448: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 448 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:448: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:460: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 460 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:460: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:468: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 468 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:468: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:482: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 482 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:482: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:496: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 496 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:496: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:511: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 511 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:511: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:522: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 522 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:522: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:593: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 593 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:593: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:608: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 608 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:608: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:620: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 620 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:620: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:632: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 632 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:632: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:648: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 648 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:648: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:661: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 661 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:661: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:674: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 674 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:674: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:685: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 685 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:685: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:695: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 695 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:695: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:707: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 707 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:707: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:718: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 718 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:718: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:727: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 727 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:727: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:736: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 736 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:736: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:749: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 749 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:749: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:759: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 759 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:759: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:769: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 769 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:769: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:777: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 777 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { step_generic_stride1.cpp:777: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] step_generic_stride1.cpp:784: warning: ignoring '#pragma omp parallel' [-Wunknown-pragmas] 784 | PS1LOOP_OVER_IVECS(gv, is, ie, i) { f[i] = g[i]; } step_generic_stride1.cpp:784: warning: ignoring '#pragma omp simd' [-Wunknown-pragmas] meepgeom.cpp:2854:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2854:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2854 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2855 | current_adjoint_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2861:44: warning: format '%d' expects argument of type 'int', but argument 2 has type 'size_t' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ ~~ | | | | int size_t {aka long unsigned int} | %ld meepgeom.cpp:2861:75: warning: format '%d' expects argument of type 'int', but argument 3 has type 'std::vector::size_type' {aka 'long unsigned int'} [-Wformat=] 2861 | meep::abort("Supplied frequencies %d don't match dft frequencies %d\n", nf, | ~^ | | | int | %ld 2862 | current_forward_chunk->omega.size()); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ | | | std::vector::size_type {aka long unsigned int} meepgeom.cpp:2895:49: warning: comparison of integer expressions of different signedness: 'int' and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2895 | if ((num_f_chunks == 0) || (cur_chunk >= num_f_chunks)) continue; | ~~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2962:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2962 | fwd1 = ((fwd1_idx >= fwd_chunk->N) || (fwd1_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:2966:35: warning: comparison of integer expressions of different signedness: 'ptrdiff_t' {aka 'long int'} and 'size_t' {aka 'long unsigned int'} [-Wsign-compare] 2966 | fwd2 = ((fwd2_idx >= fwd_chunk->N) || (fwd2_idx < 0)) | ~~~~~~~~~^~~~~~~~~~~~~~~ meepgeom.cpp:3000:25: warning: comparison of integer expressions of different signedness: 'int' and 'std::vector::size_type' {aka 'long unsigned int'} [-Wsign-compare] 3000 | for (int ii = 0; ii < adjoint_dft_chunks[i].size(); ii++) { | ~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp: In function 'std::complex meep_geom::cond_cmp(meep::component, const meep::vec&, double, geom_epsilon*)': meepgeom.cpp:2617:1: warning: control reaches end of non-void function [-Wreturn-type] 2617 | } | ^ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_db.cpp -fPIC -DPIC -o step_db.o >/dev/null 2>&1 step_generic_stride1.cpp: In function 'void meep::step_bfast_stride1(realnum*, component, const realnum*, const realnum*, ptrdiff_t, ptrdiff_t, const grid_volume&, ivec, ivec, realnum, direction, const realnum*, const realnum*, const realnum*, realnum*, direction, const realnum*, const realnum*, const realnum*, realnum, const realnum*, const realnum*, realnum*, realnum*, realnum, realnum)': step_generic_stride1.cpp:436:17: warning: unused variable 'dt2' [-Wunused-variable] 436 | realnum dt2 = dt * 0.5; | ^~~ step_generic_stride1.cpp:339:78: warning: unused parameter 'dtdx' [-Wunused-parameter] 339 | const grid_volume &gv, const ivec is, const ivec ie, realnum dtdx, direction dsig, | ~~~~~~~~^~~~ step_generic_stride1.cpp:340:27: warning: unused parameter 'sig' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:340:42: warning: unused parameter 'kap' [-Wunused-parameter] 340 | const RPR sig, const RPR kap, const RPR siginv, RPR fu, direction dsigu, | ~~~~~~~~~~^~~ step_generic_stride1.cpp:341:27: warning: unused parameter 'sigu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ step_generic_stride1.cpp:341:43: warning: unused parameter 'kapu' [-Wunused-parameter] 341 | const RPR sigu, const RPR kapu, const RPR siginvu, realnum dt, const RPR cnd, | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c GDSIIgeom.cpp -fPIC -DPIC -o GDSIIgeom.o >/dev/null 2>&1 meepgeom.cpp: In function 'void meep_geom::material_grids_addgradient_point(double*, vector3, double, geom_epsilon*, meep::component, meep::component, std::complex, std::complex, double, meep::grid_volume&, double)': meepgeom.cpp:2824:28: warning: 'kind' may be used uninitialized [-Wmaybe-uninitialized] 2824 | add_interpolate_weights(p.x, p.y, p.z, vcur, sz.x, sz.y, sz.z, 1, scalegrad, ucur, kind, uval, | ~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 2825 | vector3_to_vec(p), geps, adjoint_c, forward_c, fwd, adj, freq, gv, tol); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meepgeom.cpp:2760:7: note: 'kind' was declared here 2760 | int kind; | ^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c structure.cpp -fPIC -DPIC -o structure.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c vec.cpp -fPIC -DPIC -o vec.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meepgeom.cpp -fPIC -DPIC -o meepgeom.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic_stride1.cpp -fPIC -DPIC -o step_generic_stride1.o >/dev/null 2>&1 libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c step_generic.cpp -fPIC -DPIC -o step_generic.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libmeep.la -rpath /usr/lib/aarch64-linux-gnu array_slice.lo anisotropic_averaging.lo bands.lo boundaries.lo bicgstab.lo casimir.lo cw_fields.lo dft.lo dft_ldos.lo energy_and_flux.lo fields.lo fields_dump.lo fix_boundary_sources.lo loop_in_chunks.lo h5fields.lo h5file.lo initialize.lo integrate.lo integrate2.lo material_data.lo monitor.lo mympi.lo multilevel-atom.lo near2far.lo output_directory.lo random.lo sources.lo step.lo step_db.lo stress.lo structure.lo structure_dump.lo susceptibility.lo time.lo update_eh.lo mpb.lo update_pols.lo vec.lo step_generic.lo meepgeom.lo GDSIIgeom.lo step_generic_stride1.lo support/libsupport.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/array_slice.o .libs/anisotropic_averaging.o .libs/bands.o .libs/boundaries.o .libs/bicgstab.o .libs/casimir.o .libs/cw_fields.o .libs/dft.o .libs/dft_ldos.o .libs/energy_and_flux.o .libs/fields.o .libs/fields_dump.o .libs/fix_boundary_sources.o .libs/loop_in_chunks.o .libs/h5fields.o .libs/h5file.o .libs/initialize.o .libs/integrate.o .libs/integrate2.o .libs/material_data.o .libs/monitor.o .libs/mympi.o .libs/multilevel-atom.o .libs/near2far.o .libs/output_directory.o .libs/random.o .libs/sources.o .libs/step.o .libs/step_db.o .libs/stress.o .libs/structure.o .libs/structure_dump.o .libs/susceptibility.o .libs/time.o .libs/update_eh.o .libs/mpb.o .libs/update_pols.o .libs/vec.o .libs/step_generic.o .libs/meepgeom.o .libs/GDSIIgeom.o .libs/step_generic_stride1.o -Wl,--whole-archive support/.libs/libsupport.a -Wl,--no-whole-archive -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libmeep.so.33 -o .libs/libmeep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libmeep.so.33" && ln -s "libmeep.so.33.0.0" "libmeep.so.33") libtool: link: (cd ".libs" && rm -f "libmeep.so" && ln -s "libmeep.so.33.0.0" "libmeep.so") libtool: link: (cd .libs/libmeep.lax/libsupport.a && aarch64-linux-gnu-ar x "/build/reproducible-path/meep-1.29.0/src/support/.libs/libsupport.a") libtool: link: aarch64-linux-gnu-ar cr .libs/libmeep.a array_slice.o anisotropic_averaging.o bands.o boundaries.o bicgstab.o casimir.o cw_fields.o dft.o dft_ldos.o energy_and_flux.o fields.o fields_dump.o fix_boundary_sources.o loop_in_chunks.o h5fields.o h5file.o initialize.o integrate.o integrate2.o material_data.o monitor.o mympi.o multilevel-atom.o near2far.o output_directory.o random.o sources.o step.o step_db.o stress.o structure.o structure_dump.o susceptibility.o time.o update_eh.o mpb.o update_pols.o vec.o step_generic.o meepgeom.o GDSIIgeom.o step_generic_stride1.o .libs/libmeep.lax/libsupport.a/mt19937ar.o libtool: link: aarch64-linux-gnu-ranlib .libs/libmeep.a libtool: link: rm -fr .libs/libmeep.lax libtool: link: ( cd ".libs" && rm -f "libmeep.la" && ln -s "../libmeep.la" "libmeep.la" ) make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making all in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Nothing to be done for 'all'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making all in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' gen-ctl-io --cxx --header -o ctl-io.h meep.scm /usr/share/libctl gen-ctl-io --cxx --swig -o ctl-io.i meep.scm /usr/share/libctl (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; perl -pe 's/^ *class +([A-Za-z_0-9:]*)( *| *:[^{]*){.*$/%rename(meep_\1) meep::\1;/' ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | grep "%rename" | sed '/meep_fields_chunk/d ; /meep_comms_manager/d ; /meep_comms_key_hash_fn/d ; /meep_timing_scope/d' | sort -u; echo; grep -hv typedef ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/(inline|const|extern|static) +//g' | perl -pe 's/^[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%rename(meep_\1) meep::\1;/' | grep "%rename" | sed '/choose_chunkdivision/d ; /meep_create_comms_manager/d' | sort -u; ) > meep_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; for f in ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp; do egrep "^enum" $f | perl -pe 's/enum +([A-Za-z_0-9:]+).*$/\1/g' | while read enum; do cat $f | tr -d '\n' | perl -pe 's/.*enum +'${enum}' *{([^}]*)}.*/\1/g' | perl -pe 's/= *[0-9]+//g' |tr -d ' \t' | tr ',' '\n' | perl -pe 's/^(.*)$/'"%rename(meep_${enum}_\1) meep::\1;/g"; echo; done; done;) > meep_enum_renames.i (echo "// AUTOMATICALLY GENERATED -- DO NOT EDIT"; grep -h friend ../src/meep.hpp ../src/meep/vec.hpp ../src/meep/mympi.hpp | perl -pe 's/^ *friend +[A-Za-z_0-9:<>]+[* ]+([A-Za-z_0-9:]*) *\(.*$/%ignore \1;/' | grep "%ignore" | sort -u;) > meep_swig_bug_workaround.i (perl -pe 's/%rename\(([A-Za-z0-9_]*)\) *([A-Za-z0-9:_]*);$/(define \2 (\1))/' meep_enum_renames.i | perl -pe 's/[A-Za-z0-9:_]*:://g' | perl -pe 's/_/-/g' | perl -pe 's,//,;,'; echo "(define Centered Dielectric)") > meep-enums.scm ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go swig -I../src -c++ -guile -o meep_wrap.cxx ./meep.i ;;; note: auto-compilation is enabled, set GUILE_AUTO_COMPILE=0 ;;; or pass the --no-auto-compile argument to disable. ;;; compiling /usr/share/libctl/base/include.scm ;;; compiled /build/reproducible-path/meep-1.29.0/debian/.debhelper/generated/_source/home/.cache/guile/ccache/3.0-LE-8-4.7/usr/share/libctl/base/include.scm.go cp -f /usr/share/libctl/base/main.c main.cpp cp -f /usr/share/libctl/utils/geom.c geom.cpp gen-ctl-io --cxx --code -o ctl-io.cpp meep.scm /usr/share/libctl patch -p0 meep_wrap.cxx < ./meep_wrap.patch patching file meep_wrap.cxx Hunk #1 succeeded at 817 (offset 66 lines). sed -i.bak '/(SCM_SMOB_PREDICATE(swig_tag, smob) || SCM_SMOB_PREDICATE(swig_collectable_tag, smob))/ s/swig_collectable_tag, smob)/swig_collectable_tag, smob) || SCM_SMOB_PREDICATE((swig_collectable_tag \& ~0xff00), (smob))/' meep_wrap.cxx; make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep.o `test -f 'meep.cpp' || echo './'`meep.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-structure.o `test -f 'structure.cpp' || echo './'`structure.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-meep_wrap.o `test -f 'meep_wrap.cxx' || echo './'`meep_wrap.cxx aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-main.o `test -f 'main.cpp' || echo './'`main.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-geom.o `test -f 'geom.cpp' || echo './'`geom.cpp aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -DHAVE_CTL_HOOKS=1 -DHAVE_CTL_EXPORT_HOOK=1 -DCTL_SCM='"'/usr/share/libctl/base/ctl.scm'"' -DINCLUDE_SCM='"'/usr/share/libctl/base/include.scm'"' -DSPEC_SCM='"'/usr/share/meep/meep.scm'"' -DVERSION_STRING='"'"Meep 1.29.0, Copyright (C) 2005-2022 Massachusetts Institute of Technology."'"' -I/usr/include/guile/3.0 -I../src -Wno-unused-parameter -Wno-unused-variable -Wno-empty-body -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o meep-ctl-io.o `test -f 'ctl-io.cpp' || echo './'`ctl-io.cpp geom.cpp:22:9: warning: "_GNU_SOURCE" redefined 22 | #define _GNU_SOURCE | ^~~~~~~~~~~ : note: this is the location of the previous definition In file included from ctl-io.h:7, from main.cpp:37: main.cpp: In function 'void main_entry(void*, int, char**)': main.cpp:194:31: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 194 | gh_new_procedure("subplex", (SCM(*)(void))subplex_scm, 7, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:202:44: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 202 | gh_new_procedure("adaptive-integration", (SCM(*)(void))adaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ main.cpp:205:45: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 205 | gh_new_procedure("cadaptive-integration", (SCM(*)(void))cadaptive_integration_scm, 6, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from ctl-io.h:7, from ctl-io.cpp:7: ctl-io.cpp: In function 'void ctlio::export_external_functions()': ctl-io.cpp:2229:38: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2229 | gh_new_procedure("square-basis-aux", (SCM (*)()) square_basis_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2230:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM, SCM, SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2230 | gh_new_procedure("range-overlap-with-object-aux", (SCM (*)()) range_overlap_with_object_aux, 5, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2231:55: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2231 | gh_new_procedure("display-geometric-object-info-aux", (SCM (*)()) display_geometric_object_info_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2232:51: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2232 | gh_new_procedure("point-in-periodic-object?-aux", (SCM (*)()) point_in_periodic_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2233:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2233 | gh_new_procedure("normal-to-object-aux", (SCM (*)()) normal_to_object_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ctl-io.cpp:2234:42: warning: cast between incompatible function types from 'scm_unused_struct* (*)(SCM, SCM)' {aka 'scm_unused_struct* (*)(scm_unused_struct*, scm_unused_struct*)'} to 'scm_unused_struct* (*)()' [-Wcast-function-type] 2234 | gh_new_procedure("point-in-object?-aux", (SCM (*)()) point_in_objectp_aux, 2, 0, 0); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ geom.cpp: In function 'vector3 normal_to_prism(ctlio::prism*, vector3)': geom.cpp:2357:11: warning: variable 'axisp' set but not used [-Wunused-but-set-variable] 2357 | vector3 axisp = vector3_scale(height, zhatp); | ^~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_0(int, scm_unused_struct**)': meep_wrap.cxx:36080:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36080 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36083:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36083 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_1(int, scm_unused_struct**)': meep_wrap.cxx:36145:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36145 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36148:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36148 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx: In function 'scm_unused_struct* _wrap_new_meep_dft_flux__SWIG_2(int, scm_unused_struct**)': meep_wrap.cxx:36209:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36209 | arg1 = (meep::component const) scm_to_int(argv[0]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ meep_wrap.cxx:36212:12: warning: type qualifiers ignored on cast result type [-Wignored-qualifiers] 36212 | arg2 = (meep::component const) scm_to_int(argv[1]); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:581:10: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 581 | mat2 = mat1; | ~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ In function 'bool get_front_object(const meep::volume&, geom_box_tree, vector3&, const ctlio::geometric_object**, vector3&, ctlio::material_type&, ctlio::material_type&)', inlined from 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)' at structure.cpp:618:40: structure.cpp:595:15: warning: 'mat1' may be used uninitialized [-Wmaybe-uninitialized] 595 | mat_front = mat1; | ~~~~~~~~~~^~~~~~ structure.cpp: In member function 'virtual void geom_epsilon::eff_chi1inv_row(meep::component, double*, const meep::volume&, double, int)': structure.cpp:509:17: note: 'mat1' declared here 509 | material_type mat1, mat2; | ^~~~ /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/libmeep.la -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/meep meep-meep.o meep-structure.o meep-meep_wrap.o meep-main.o meep-geom.o meep-ctl-io.o ../src/.libs/libmeep.so -lctl -lguile-3.0 -lgc -lpthread -ldl -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making all in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o libpympb_la-pympb.lo `test -f 'pympb.cpp' || echo './'`pympb.cpp libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o .libs/libpympb_la-pympb.o pympb.cpp:46:1: warning: multi-line comment [-Wcomment] 46 | // #define LOOP_XYZ(md) \ | ^ pympb.cpp: In member function 'void py_mpb::mode_solver::fix_field_phase()': pympb.cpp:72:16: warning: comparison between two arrays [-Warray-compare] 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ pympb.cpp:72:16: note: use unary '+' which decays operands to pointers or '&(sq_sum2)[0] != &(sq_sum)[0]' to compare the addresses 72 | CHECK((sb) != (rb), "MPI_Allreduce doesn't work for sendbuf == recvbuf"); \ | ~~~~~^~~~~~~ pympb.cpp:87:9: note: in definition of macro 'CHECK' 87 | if (!(cond)) { meep::abort(s "\n"); } | ^~~~ pympb.cpp:2028:3: note: in expansion of macro 'mpi_allreduce' 2028 | mpi_allreduce(sq_sum2, sq_sum, 2, mpb_real, SCALAR_MPI_TYPE, MPI_SUM, mpb_comm); | ^~~~~~~~~~~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -Wfatal-errors -I../src -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c pympb.cpp -fPIC -DPIC -o libpympb_la-pympb.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "libpympb.so.33" && ln -s "libpympb.so.33.0.0" "libpympb.so.33") libtool: link: (cd ".libs" && rm -f "libpympb.so" && ln -s "libpympb.so.33.0.0" "libpympb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/libpympb.a libpympb_la-pympb.o libtool: link: aarch64-linux-gnu-ranlib .libs/libpympb.a libtool: link: ( cd ".libs" && rm -f "libpympb.la" && ln -s "../libpympb.la" "libpympb.la" ) make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making all in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o meep-python.cxx ./meep.i swig -Wextra -I../src -I../libpympb -I.. -outdir . -c++ -nofastunpack -python -o mpb-python.cxx ./mpb.i ../src/meep.hpp:1644: Warning 362: operator= ignored ../src/meep.hpp:1644: Warning 362: operator= ignored cp meep.py __init__.py echo "__version__ = '1.29.0'" >> __init__.py if [[ "4.3.0" = 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' __init__.py; \ sed -i.bak 's/ import _meep/from . import _meep/' __init__.py; \ fi if [[ "4.3.0" == 3.0.12 ]]; then \ sed -i.bak '/^if _swig_python_version_info >= (2, 7, 0):/,/^else:/d' mpb.py; \ sed -i.bak 's/ import _mpb/from . import _mpb/' mpb.py; \ fi make all-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _meep_la-meep-python.lo `test -f 'meep-python.cxx' || echo './'`meep-python.cxx /bin/bash ../libtool --tag=CXX --mode=compile aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o _mpb_la-mpb-python.lo `test -f 'mpb-python.cxx' || echo './'`mpb-python.cxx libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o .libs/_meep_la-meep-python.o libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o .libs/_mpb_la-mpb-python.o In file included from mpb-python.cxx:3409: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ meep-python.cxx: In function 'meep::structure* create_structure(vector3, std::vector, std::vector, std::vector, std::vector, std::vector, meep::grid_volume&, const meep::boundary_region&, const meep::symmetry&, int, double, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep::structure*, bool, const meep::binary_partition*)': meep-python.cxx:7529:62: warning: unused parameter 'alist' [-Wunused-parameter] 7529 | meep_geom::absorber_list alist, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx:7530:67: warning: unused parameter 'extra_materials' [-Wunused-parameter] 7530 | meep_geom::material_type_list extra_materials, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~ meep-python.cxx:7532:42: warning: unused parameter 'set_materials' [-Wunused-parameter] 7532 | bool set_materials, | ~~~~~^~~~~~~~~~~~~ meep-python.cxx: In function 'meep_geom::geom_epsilon* _set_materials(meep::structure*, vector3, meep::grid_volume&, bool, double, int, geometric_object_list, vector3, bool, meep_geom::material_type, meep_geom::absorber_list, meep_geom::material_type_list, bool, bool, meep_geom::geom_epsilon*, bool, const meep::binary_partition*)': meep-python.cxx:7576:29: warning: unused parameter 'cell_size' [-Wunused-parameter] 7576 | vector3 cell_size, | ~~~~~~~~^~~~~~~~~ meep-python.cxx:7577:40: warning: unused parameter 'gv' [-Wunused-parameter] 7577 | meep::grid_volume &gv, | ~~~~~~~~~~~~~~~~~~~^~ meep-python.cxx:7590:26: warning: unused parameter 'output_chunk_costs' [-Wunused-parameter] 7590 | bool output_chunk_costs, | ~~~~~^~~~~~~~~~~~~~~~~~ meep-python.cxx:7591:51: warning: unused parameter 'my_bp' [-Wunused-parameter] 7591 | const meep::binary_partition *my_bp) { | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:25557:87: warning: unused parameter 'varargs' [-Wunused-parameter] 25557 | SWIGINTERN PyObject *_wrap_abort__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_abort(PyObject*, PyObject*)': meep-python.cxx:25590:44: warning: unused parameter 'self' [-Wunused-parameter] 25590 | SWIGINTERN PyObject *_wrap_abort(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126130:95: warning: unused parameter 'varargs' [-Wunused-parameter] 126130 | SWIGINTERN PyObject *_wrap_master_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf(PyObject*, PyObject*)': meep-python.cxx:126163:52: warning: unused parameter 'self' [-Wunused-parameter] 126163 | SWIGINTERN PyObject *_wrap_master_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126177:102: warning: unused parameter 'varargs' [-Wunused-parameter] 126177 | SWIGINTERN PyObject *_wrap_master_printf_stderr__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_printf_stderr(PyObject*, PyObject*)': meep-python.cxx:126210:59: warning: unused parameter 'self' [-Wunused-parameter] 126210 | SWIGINTERN PyObject *_wrap_master_printf_stderr(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126224:94: warning: unused parameter 'varargs' [-Wunused-parameter] 126224 | SWIGINTERN PyObject *_wrap_debug_printf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_debug_printf(PyObject*, PyObject*)': meep-python.cxx:126257:51: warning: unused parameter 'self' [-Wunused-parameter] 126257 | SWIGINTERN PyObject *_wrap_debug_printf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf__varargs__(PyObject*, PyObject*, PyObject*)': meep-python.cxx:126271:96: warning: unused parameter 'varargs' [-Wunused-parameter] 126271 | SWIGINTERN PyObject *_wrap_master_fprintf__varargs__(PyObject *self, PyObject *args, PyObject *varargs) { | ~~~~~~~~~~^~~~~~~ meep-python.cxx: In function 'PyObject* _wrap_master_fprintf(PyObject*, PyObject*)': meep-python.cxx:126313:53: warning: unused parameter 'self' [-Wunused-parameter] 126313 | SWIGINTERN PyObject *_wrap_master_fprintf(PyObject *self, PyObject *args) { | ~~~~~~~~~~^~~~ libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c mpb-python.cxx -fPIC -DPIC -o _mpb_la-mpb-python.o >/dev/null 2>&1 In file included from meep-python.cxx:4104: typemap_utils.cpp: At global scope: typemap_utils.cpp:115:18: warning: 'PyObject* py_volume_object()' defined but not used [-Wunused-function] 115 | static PyObject *py_volume_object() { | ^~~~~~~~~~~~~~~~ /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/libpympb/.libs ../libpympb/.libs/libpympb.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_mpb.so.33" && ln -s "_mpb.so.33.0.0" "_mpb.so.33") libtool: link: (cd ".libs" && rm -f "_mpb.so" && ln -s "_mpb.so.33.0.0" "_mpb.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_mpb.a _mpb_la-mpb-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_mpb.a libtool: link: ( cd ".libs" && rm -f "_mpb.la" && ln -s "../_mpb.la" "_mpb.la" ) libtool: compile: aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I/usr/include/python3.13 -I/usr/lib/aarch64-linux-gnu/python3-numpy/numpy/_core/include -I../src -I../libpympb -I.. -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c meep-python.cxx -fPIC -DPIC -o _meep_la-meep-python.o >/dev/null 2>&1 /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -Wl,-rpath -Wl,/build/reproducible-path/meep-1.29.0/src/.libs ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: link: (cd ".libs" && rm -f "_meep.so.33" && ln -s "_meep.so.33.0.0" "_meep.so.33") libtool: link: (cd ".libs" && rm -f "_meep.so" && ln -s "_meep.so.33.0.0" "_meep.so") libtool: link: aarch64-linux-gnu-ar cr .libs/_meep.a _meep_la-meep-python.o libtool: link: aarch64-linux-gnu-ranlib .libs/_meep.a libtool: link: ( cd ".libs" && rm -f "_meep.la" && ln -s "../_meep.la" "_meep.la" ) mkdir -p meep/adjoint cp __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py .libs/_meep.so meep cp ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py meep/adjoint mkdir -p meep/mpb cp .libs/_mpb.so meep/mpb cp ./mpb.py meep/mpb/__init__.py cp ./solver.py ./mpb_data.py meep/mpb make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' cp -f ./meep-pkgconfig meep.pc make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' echo arm64 arm64 if [ "arm64" = "armel" ] || \ [ "arm64" = "riscv64" ] || \ [ "arm64" = "hurd-i386" ] ; then \ echo "Do not make tests on this architecture" ;\ else \ echo "Do make tests on this architecture" ;\ make check; \ find; \ cat python/test-suite.log; \ fi Do make tests on this architecture make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making check in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make check-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making check in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Nothing to be done for 'check'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Nothing to be done for 'check-am'. make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making check in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make aniso_disp bench bragg_transmission convergence_cyl_waveguide cylindrical dump_load flux harmonics integrate known_results near2far one_dimensional physical stress_tensor symmetry three_d two_dimensional 2D_convergence h5test pml pw-source-ll ring-ll cyl-ellipsoid-ll absorber-1d-ll array-slice-ll user-defined-material dft-fields gdsII-3d bend-flux-ll array-metadata make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src 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-Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o user-defined-material.o user-defined-material.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o user-defined-material user-defined-material.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib 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-DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o dft-fields.o dft-fields.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o dft-fields dft-fields.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/dft-fields dft-fields.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o gdsII-3d.o gdsII-3d.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o gdsII-3d gdsII-3d.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/gdsII-3d gdsII-3d.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o bend-flux-ll.o bend-flux-ll.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o bend-flux-ll bend-flux-ll.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm libtool: link: aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o .libs/bend-flux-ll bend-flux-ll.o ../src/.libs/libmeep.so -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm aarch64-linux-gnu-g++ -DHAVE_CONFIG_H -I. -I.. -I../src -DDATADIR=\"./\" -Wdate-time -D_FORTIFY_SOURCE=2 -I/usr/include/hdf5/serial -I/usr/include/guile/3.0 -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -c -o array-metadata.o array-metadata.cpp /bin/bash ../libtool --tag=CXX --mode=link aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o array-metadata array-metadata.o ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib 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'/build/reproducible-path/meep-1.29.0/tests' make check-TESTS make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' PASS: aniso_disp PASS: bench PASS: bragg_transmission PASS: convergence_cyl_waveguide PASS: cylindrical PASS: dump_load PASS: flux PASS: harmonics PASS: integrate PASS: known_results PASS: near2far PASS: one_dimensional PASS: physical PASS: stress_tensor PASS: symmetry PASS: three_d PASS: two_dimensional PASS: 2D_convergence PASS: h5test PASS: pml PASS: cyl-ellipsoid-ll PASS: array-slice-ll PASS: ring-ll ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 23 # PASS: 23 # SKIP: 0 # XFAIL: 0 # FAIL: 0 # XPASS: 0 # ERROR: 0 ============================================================================ make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making check in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Nothing to be done for 'check-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making check in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Nothing to be done for 'check'. make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making check in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make check-TESTS make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' PASS: tests/test_3rd_harm_1d.py PASS: tests/test_absorber_1d.py FAIL: tests/test_adjoint_solver.py FAIL: tests/test_adjoint_utils.py FAIL: tests/test_adjoint_cyl.py FAIL: tests/test_adjoint_jax.py PASS: tests/test_antenna_radiation.py PASS: tests/test_array_metadata.py PASS: tests/test_bend_flux.py FAIL: tests/test_binary_partition_utils.py FAIL: tests/test_binary_grating.py PASS: tests/test_cavity_arrayslice.py PASS: tests/test_cavity_farfield.py FAIL: tests/test_chunk_balancer.py PASS: tests/test_chunk_layout.py PASS: tests/test_chunks.py PASS: tests/test_conductivity.py PASS: tests/test_cyl_ellipsoid.py PASS: tests/test_dft_energy.py PASS: tests/test_dft_fields.py PASS: tests/test_diffracted_planewave.py PASS: tests/test_dispersive_eigenmode.py PASS: tests/test_divide_mpi_processes.py PASS: tests/test_dump_load.py PASS: tests/test_eigfreq.py PASS: tests/test_faraday_rotation.py PASS: tests/test_field_functions.py PASS: tests/test_force.py PASS: tests/test_fragment_stats.py PASS: tests/test_gaussianbeam.py PASS: tests/test_geom.py PASS: tests/test_get_point.py FAIL: tests/test_get_epsilon_grid.py PASS: tests/test_holey_wvg_bands.py PASS: tests/test_holey_wvg_cavity.py PASS: tests/test_integrated_source.py PASS: tests/test_kdom.py PASS: tests/test_ldos.py PASS: tests/test_material_dispersion.py FAIL: tests/test_material_grid.py PASS: tests/test_materials_library.py PASS: tests/test_medium_evaluations.py FAIL: tests/test_mpb.py PASS: tests/test_mode_coeffs.py FAIL: tests/test_mode_decomposition.py FAIL: tests/test_multilevel_atom.py PASS: tests/test_n2f_periodic.py PASS: tests/test_oblique_source.py FAIL: tests/test_pml_cyl.py PASS: tests/test_physical.py PASS: tests/test_prism.py PASS: tests/test_pw_source.py FAIL: tests/test_refl_angular.py FAIL: tests/test_ring.py PASS: tests/test_ring_cyl.py PASS: tests/test_simulation.py FAIL: tests/test_special_kz.py PASS: tests/test_source.py PASS: tests/test_timing_measurements.py PASS: tests/test_user_defined_material.py PASS: tests/test_verbosity_mgr.py PASS: tests/test_visualization.py PASS: tests/test_wvg_src.py ============================================================================ Testsuite summary for meep 1.29.0 ============================================================================ # TOTAL: 63 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 16 # XPASS: 0 # ERROR: 0 ============================================================================ See python/test-suite.log for debugging. ============================================================================ make[6]: *** [Makefile:1119: test-suite.log] Error 1 make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: *** [Makefile:1254: check-TESTS] Error 2 make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: *** [Makefile:1318: check-am] Error 2 make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: *** [Makefile:1320: check] Error 2 make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[2]: *** [Makefile:523: check-recursive] Error 1 make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' . ./meep.pc ./libtool ./stamp-h1 ./config.h ./meep-pkgconfig ./Makefile ./config.status ./config.log ./test-driver ./depcomp ./py-compile ./Makefile.in ./missing ./install-sh ./config.sub ./config.guess ./compile ./config.h.in ./configure ./aclocal.m4 ./ltmain.sh ./autom4te.cache ./autom4te.cache/output.1 ./autom4te.cache/traces.1 ./autom4te.cache/output.3 ./autom4te.cache/traces.3 ./autom4te.cache/output.2 ./autom4te.cache/traces.2 ./autom4te.cache/output.0 ./autom4te.cache/traces.0 ./autom4te.cache/requests ./configure.ac ./.pc ./.pc/python-distutils.patch ./.pc/python-distutils.patch/python ./.pc/python-distutils.patch/python/visualization.py ./.pc/python-distutils.patch/doc 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./python/tests/test_pw_source.log ./python/tests/test_prism.trs ./python/tests/test_prism.log ./python/tests/test_physical.trs ./python/tests/test_physical.log ./python/tests/test_pml_cyl.trs ./python/tests/test_pml_cyl.log ./python/tests/test_oblique_source.trs ./python/tests/test_oblique_source.log ./python/tests/test_n2f_periodic.trs ./python/tests/test_n2f_periodic.log ./python/tests/test_multilevel_atom.trs ./python/tests/test_multilevel_atom.log ./python/tests/test_mode_decomposition.trs ./python/tests/test_mode_decomposition.log ./python/tests/test_mode_coeffs.trs ./python/tests/test_mode_coeffs.log ./python/tests/test_mpb.trs ./python/tests/test_mpb.log ./python/tests/test_medium_evaluations.trs ./python/tests/test_medium_evaluations.log ./python/tests/test_materials_library.trs ./python/tests/test_materials_library.log ./python/tests/test_material_grid.trs ./python/tests/test_material_grid.log ./python/tests/test_material_dispersion.trs 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./python/tests/test_kdom.py ./python/tests/test_integrated_source.py ./python/tests/test_holey_wvg_cavity.py ./python/tests/test_holey_wvg_bands.py ./python/tests/test_get_point.py ./python/tests/test_get_epsilon_grid.py ./python/tests/test_geom.py ./python/tests/test_gaussianbeam.py ./python/tests/test_fragment_stats.py ./python/tests/test_force.py ./python/tests/test_field_functions.py ./python/tests/test_faraday_rotation.py ./python/tests/test_eigfreq.py ./python/tests/test_dump_load.py ./python/tests/test_divide_mpi_processes.py ./python/tests/test_dispersive_eigenmode.py ./python/tests/test_diffracted_planewave.py ./python/tests/test_dft_fields.py ./python/tests/test_dft_energy.py ./python/tests/test_cyl_ellipsoid.py ./python/tests/test_conductivity.py ./python/tests/test_chunks.py ./python/tests/test_chunk_layout.py ./python/tests/test_chunk_balancer.py ./python/tests/test_cavity_farfield.py ./python/tests/test_cavity_arrayslice.py ./python/tests/test_binary_partition_utils.py 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./python/examples/polarization_grating.py ./python/examples/polarization_grating.ipynb ./python/examples/point_dipole_cyl.py ./python/examples/planar_cavity_ldos.py ./python/examples/phase_in_material.py ./python/examples/perturbation_theory_2d.py ./python/examples/perturbation_theory.py ./python/examples/perturbation_theory.ipynb ./python/examples/parallel-wvgs-mpb.py ./python/examples/parallel-wvgs-force.py ./python/examples/parallel-wvgs-force.ipynb ./python/examples/oblique-source.py ./python/examples/oblique-source.ipynb ./python/examples/oblique-planewave.py ./python/examples/oblique-planewave.ipynb ./python/examples/multilevel-atom.py ./python/examples/mpb_tutorial.py ./python/examples/mpb_tri_rods.py ./python/examples/mpb_tri_holes.py ./python/examples/mpb_strip.py ./python/examples/mpb_sq_rods.py ./python/examples/mpb_line_defect.py ./python/examples/mpb_honey_rods.py ./python/examples/mpb_hole_slab.py ./python/examples/mpb_diamond.py ./python/examples/mpb_data_analysis.py 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./python/examples/differential_cross_section.py ./python/examples/differential_cross_section.ipynb ./python/examples/cylinder_cross_section.py ./python/examples/cylinder_cross_section.ipynb ./python/examples/cyl-ellipsoid.py ./python/examples/coupler.py ./python/examples/coupler.ipynb ./python/examples/coupler.gds ./python/examples/chirped_pulse.py ./python/examples/cherenkov-radiation.py ./python/examples/cavity_arrayslice.py ./python/examples/cavity-farfield.py ./python/examples/cavity-farfield.ipynb ./python/examples/binary_grating_phasemap.py ./python/examples/binary_grating_phasemap.ipynb ./python/examples/binary_grating_oblique.py ./python/examples/binary_grating_oblique.ipynb ./python/examples/binary_grating_n2f.py ./python/examples/binary_grating_n2f.ipynb ./python/examples/binary_grating.py ./python/examples/binary_grating.ipynb ./python/examples/bent-waveguide.py ./python/examples/bent-waveguide.ipynb ./python/examples/bend-flux.py ./python/examples/bend-flux.ipynb ./python/examples/antenna_pec_ground_plane.py ./python/examples/antenna-radiation.py ./python/examples/antenna-radiation.ipynb ./python/examples/adjoint_optimization ./python/examples/adjoint_optimization/mode_converter.py ./python/examples/adjoint_optimization/Fourier-Metalens.ipynb ./python/examples/adjoint_optimization/Fourier-Bend.ipynb ./python/examples/adjoint_optimization/Bend Minimax.ipynb ./python/examples/adjoint_optimization/07-Connectivity-Constraint.ipynb ./python/examples/adjoint_optimization/06-Near2Far-Epigraph.ipynb ./python/examples/adjoint_optimization/05-Near2Far.ipynb ./python/examples/adjoint_optimization/04-Splitter.ipynb ./python/examples/adjoint_optimization/03-Filtered_Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/02-Waveguide_Bend.ipynb ./python/examples/adjoint_optimization/01-Introduction.ipynb ./python/examples/absorber-1d.py ./python/examples/absorbed_power_density.py ./python/examples/absorbed_power_density.ipynb ./python/examples/README.md ./python/examples/3rd-harm-1d.py ./python/examples/3rd-harm-1d.ipynb ./python/chunk_balancer.py ./python/binary_partition_utils.py ./python/adjoint ./python/adjoint/__pycache__ ./python/adjoint/__pycache__/optimization_problem.cpython-313.pyc ./python/adjoint/__pycache__/basis.cpython-313.pyc ./python/adjoint/__pycache__/utils.cpython-313.pyc ./python/adjoint/__pycache__/filter_source.cpython-313.pyc ./python/adjoint/__pycache__/objective.cpython-313.pyc ./python/adjoint/__pycache__/__init__.cpython-313.pyc ./python/adjoint/wrapper.py ./python/adjoint/utils.py ./python/adjoint/unfilter_design.py ./python/adjoint/optimization_problem.py ./python/adjoint/objective.py ./python/adjoint/filters.py ./python/adjoint/filter_source.py ./python/adjoint/connectivity.py ./python/adjoint/basis.py ./python/adjoint/__init__.py ./python/Makefile.am ./monkeytype.sqlite3 ./mkdocs.yml ./meep-pkgconfig.in ./m4 ./m4/lt~obsolete.m4 ./m4/ltversion.m4 ./m4/ltsugar.m4 ./m4/ltoptions.m4 ./m4/libtool.m4 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./doc/_api_snippets/class_template.md ./doc/README.md ./contrib ./contrib/build-meep.sh ./codemeta.json ./codecov.yml ./autogen.sh ./add_type_hints.xonsh ./TODO ./README.md ./NEWS.md ./Makefile.am ./LICENSE ./COPYRIGHT ./AUTHORS ./.travis.yml ./.sourcery.yaml ./.readthedocs.yaml ./.pre-commit-config.yaml ./.mailmap ./.gitignore ./.github ./.github/workflows ./.github/workflows/pre-commit.yml ./.github/workflows/build-san.yml ./.github/workflows/build-ci.yml ./.github/dependabot.yml ./.gitattributes ./.flake8 ./.clang-format ======================================== meep 1.29.0: python/test-suite.log ======================================== # TOTAL: 63 # PASS: 47 # SKIP: 0 # XFAIL: 0 # FAIL: 16 # XPASS: 0 # ERROR: 0 System information (uname -a): Linux 6.1.0-31-cloud-arm64 #1 SMP Debian 6.1.128-1 (2025-02-07) aarch64 Distribution information (/etc/os-release): PRETTY_NAME="Debian GNU/Linux trixie/sid" NAME="Debian GNU/Linux" VERSION_CODENAME=trixie ID=debian HOME_URL="https://www.debian.org/" SUPPORT_URL="https://www.debian.org/support" BUG_REPORT_URL="https://bugs.debian.org/" .. contents:: :depth: 2 FAIL: tests/test_adjoint_solver =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-ko4hi78s because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_solver.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.4970 s FAIL tests/test_adjoint_solver.py (exit status: 1) FAIL: tests/test_adjoint_utils ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-qu6oosh0 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 11, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_utils.py", line 13, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2408 s FAIL tests/test_adjoint_utils.py (exit status: 1) FAIL: tests/test_adjoint_cyl ============================ Matplotlib created a temporary cache directory at /tmp/matplotlib-u3x3c54r because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_cyl.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3137 s FAIL tests/test_adjoint_cyl.py (exit status: 1) FAIL: tests/test_adjoint_jax ============================ Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_adjoint_jax.py", line 3, in import jax ModuleNotFoundError: No module named 'jax' FAIL tests/test_adjoint_jax.py (exit status: 1) FAIL: tests/test_binary_partition_utils ======================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-k3c4uva4 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_partition_utils.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0028 s FAIL tests/test_binary_partition_utils.py (exit status: 1) FAIL: tests/test_binary_grating =============================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_binary_grating.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_binary_grating.py (exit status: 1) FAIL: tests/test_chunk_balancer =============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-t3r_8w0q because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_chunk_balancer.py", line 5, in import parameterized ModuleNotFoundError: No module named 'parameterized' Elapsed run time = 0.0014 s FAIL tests/test_chunk_balancer.py (exit status: 1) FAIL: tests/test_get_epsilon_grid ================================= Matplotlib created a temporary cache directory at /tmp/matplotlib-ejy6vfo0 because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_get_epsilon_grid.py", line 3, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.3979 s FAIL tests/test_get_epsilon_grid.py (exit status: 1) FAIL: tests/test_material_grid ============================== Matplotlib created a temporary cache directory at /tmp/matplotlib-5kom57xr because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 4, in import meep.adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/meep/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_material_grid.py", line 6, in import adjoint as mpa File "/build/reproducible-path/meep-1.29.0/python/adjoint/__init__.py", line 13, in from .optimization_problem import OptimizationProblem File "/build/reproducible-path/meep-1.29.0/python/adjoint/optimization_problem.py", line 5, in from autograd import grad, jacobian ModuleNotFoundError: No module named 'autograd' Elapsed run time = 0.2143 s FAIL tests/test_material_grid.py (exit status: 1) FAIL: tests/test_mpb ==================== Matplotlib created a temporary cache directory at /tmp/matplotlib-r3t83dvd because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /tmp/meepakjAzV/test_anisotropic_2d_gap-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.3, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.024721622467041016 solve_kpoint (0,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6, band 7, band 8 Solving for bands 3 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 10.77194213866493 (192.122% change) linmin: converged after 7 iterations. iteration 2: trace = 3.0754972925257 (111.161% change) linmin: converged after 5 iterations. iteration 3: trace = 1.71668476265345 (56.7096% change) linmin: converged after 7 iterations. iteration 4: trace = 1.227420708969451 (33.2369% change) linmin: converged after 5 iterations. iteration 5: trace = 1.060832724595333 (14.5603% change) linmin: converged after 7 iterations. iteration 6: trace = 0.959975852113978 (9.98183% change) linmin: converged after 5 iterations. iteration 7: trace = 0.909240400209034 (5.42853% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8807679450969029 (3.18127% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8627797420484471 (2.0634% change) linmin: converged after 5 iterations. iteration 10: trace = 0.8516588552680404 (1.29732% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8438574996288519 (0.920234% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8394516798595164 (0.523471% change) linmin: converged after 5 iterations. iteration 13: trace = 0.836629069249995 (0.336811% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8347678523808513 (0.222714% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8337466495477653 (0.122409% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8330292235347097 (0.0860855% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8325947181531635 (0.0521733% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8323092192026496 (0.0342961% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8321766146416989 (0.0159334% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8321119589360675 (0.00776977% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8320745163302404 (0.00449981% change) linmin: converged after 4 iterations. iteration 22: trace = 0.832051317003098 (0.00278817% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8320378597035315 (0.00161738% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8320296693273964 (0.00098438% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8320254490100094 (0.000507233% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8320231011390418 (0.000282188% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8320218176827396 (0.000154257% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8320210651241119 (9.04494e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8320205764596325 (5.87322e-05% change) linmin: converged after 19 iterations. iteration 30: trace = 0.8320203215435755 (3.06382e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 0.8320202068470011 (1.37853e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320201439100389 (7.56436e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 0.8320201056776415 (4.59513e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8320200829980432 (2.72585e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 0.8320200693466452 (1.64075e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8320200636019381 (6.90453e-07% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200604494776 (3.78892e-07% change) linmin: converged after 6 iterations. iteration 38: trace = 0.8320200588885164 (1.87611e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 0.8320200580360128 (1.02462e-07% change) linmin: converged after 19 iterations. iteration 40: trace = 0.8320200576147273 (5.0634e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 0.8320200574061474 (2.50691e-08% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8320200572926048 (1.36466e-08% change) linmin: converged after 9 iterations. iteration 43: trace = 0.8320200572315926 (7.33302e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 0.832020057198161 (4.01812e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 0.8320200571762048 (2.6389e-09% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8320200571626069 (1.63432e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 0.8320200571545783 (9.6495e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 0.832020057150025 (5.47252e-10% change) linmin: converged after 4 iterations. iteration 49: trace = 0.8320200571472434 (3.34327e-10% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8320200571454062 (2.20812e-10% change) linmin: converged after 6 iterations. iteration 51: trace = 0.8320200571444556 (1.14249e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 0.8320200571439178 (6.46369e-11% change) Finished solving for bands 3 to 8 after 52 iterations. freqs:, 1, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 elapsed time for k point: 0.2438488006591797 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8411857073604645 (1.48851% change) linmin: converged after 8 iterations. iteration 2: trace = 0.8364158268943164 (0.568655% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8353099576195202 (0.132303% change) linmin: converged after 6 iterations. iteration 4: trace = 0.8342493413734591 (0.127053% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8327506867263736 (0.179803% change) linmin: converged after 5 iterations. iteration 6: trace = 0.8318022392492346 (0.113958% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8313248193318883 (0.0574123% change) linmin: converged after 5 iterations. iteration 8: trace = 0.8309940498477346 (0.0397962% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8307771087497984 (0.0261096% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8306786823965296 (0.0118482% change) linmin: converged after 4 iterations. iteration 11: trace = 0.830620418876548 (0.00701421% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8305831498030515 (0.004487% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8305591613818109 (0.00288818% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8305450047313113 (0.00170449% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8305386872319382 (0.000760648% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8305355879462613 (0.000373166% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8305341210791168 (0.000176617% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8305331675841161 (0.000114805% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8305325811294096 (7.06119e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8305322746123353 (3.69061e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 0.8305320916748304 (2.20265e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8305320019893665 (1.07986e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8305319557056104 (5.57278e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8305319292924483 (3.18027e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8305319161092475 (1.58732e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8305319042197319 (1.43155e-06% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8305318965921982 (9.18391e-07% change) linmin: converged after 10 iterations. iteration 28: trace = 0.8305318905535406 (7.27083e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8305318875553995 (3.6099e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8305318858786155 (2.01893e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8305318849630696 (1.10236e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8305318845533121 (4.93368e-08% change) linmin: converged after 12 iterations. iteration 33: trace = 0.830531884211193 (4.11928e-08% change) linmin: converged after 15 iterations. iteration 34: trace = 0.8305318840358398 (2.11134e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8305318839403582 (1.14964e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8305318839001288 (4.84381e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.830531883874691 (3.06283e-09% change) linmin: converged after 24 iterations. iteration 38: trace = 0.8305318838577096 (2.04464e-09% change) linmin: converged after 18 iterations. iteration 39: trace = 0.8305318838472706 (1.2569e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8305318838419788 (6.37154e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8305318838394073 (3.09621e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8305318838374599 (2.34481e-10% change) linmin: converged after 19 iterations. iteration 43: trace = 0.8305318838359887 (1.77134e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8305318838350271 (1.1579e-10% change) linmin: converged after 4 iterations. iteration 45: trace = 0.8305318838345979 (5.16792e-11% change) Finished solving for bands 1 to 8 after 45 iterations. freqs:, 2, 0.1, 0, 0, 0.1, 0.0367937, 0.049071, 0.308902, 0.358341, 0.370542, 0.38729, 0.392077, 0.402396 elapsed time for k point: 0.17744851112365723 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.836315860096732 (1.66557% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8340975083083036 (0.265605% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8332458664916265 (0.102156% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8322497918498211 (0.119613% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8311832900375034 (0.128229% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8306432394277228 (0.0649948% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8303416617015291 (0.0363131% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8301707132794689 (0.0205898% change) linmin: converged after 4 iterations. iteration 9: trace = 0.830078155996353 (0.0111498% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8300183450119853 (0.00720572% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8299838209971111 (0.00415951% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8299580236592101 (0.00310822% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8299441420167275 (0.00167259% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8299355104420545 (0.00104002% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8299314094940895 (0.00049413% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8299288478334526 (0.00030866% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8299269859865059 (0.000224338% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8299257864059029 (0.000144541% change) linmin: converged after 5 iterations. iteration 19: trace = 0.8299250658247074 (8.68248e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8299246454651557 (5.06503e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8299243778997404 (3.22397e-05% change) linmin: converged after 7 iterations. iteration 22: trace = 0.8299242050799038 (2.08236e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8299241006170228 (1.2587e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8299240288709508 (8.6449e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8299239857346447 (5.19762e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8299239648673498 (2.51436e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8299239559095053 (1.07936e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8299239507817767 (6.17855e-07% change) linmin: converged after 3 iterations. iteration 29: trace = 0.829923948679026 (2.53367e-07% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8299239474471369 (1.48434e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8299239467745021 (8.10478e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8299239462912059 (5.82338e-08% change) linmin: converged after 7 iterations. iteration 33: trace = 0.8299239460822325 (2.51798e-08% change) linmin: converged after 24 iterations. iteration 34: trace = 0.829923945946898 (1.63069e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8299239458765898 (8.47164e-09% change) linmin: converged after 10 iterations. iteration 36: trace = 0.8299239458198523 (6.83647e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8299239457895662 (3.64926e-09% change) linmin: converged after 22 iterations. iteration 38: trace = 0.8299239457730856 (1.9858e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8299239457622447 (1.30625e-09% change) linmin: converged after 23 iterations. iteration 40: trace = 0.8299239457533909 (1.06682e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 0.8299239457488158 (5.5127e-10% change) linmin: converged after 16 iterations. iteration 42: trace = 0.8299239457466069 (2.66157e-10% change) linmin: converged after 2 iterations. iteration 43: trace = 0.829923945745775 (1.00237e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8299239457452547 (6.26865e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 3, 0.2, 0, 0, 0.2, 0.0730357, 0.0965491, 0.285819, 0.360073, 0.368932, 0.371597, 0.403894, 0.408164 elapsed time for k point: 0.164581298828125 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 10 iterations. iteration 1: trace = 0.8384579710388014 (1.6581% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8362067464145161 (0.268857% change) linmin: converged after 4 iterations. iteration 3: trace = 0.834959121441012 (0.149312% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8329527435092523 (0.240586% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8312082200197433 (0.209658% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8301835396589363 (0.123352% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8295953310521766 (0.0708779% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8291618777609253 (0.0522624% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8288536352392206 (0.0371821% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8286314540975082 (0.0268094% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8284802607009891 (0.0182478% change) linmin: converged after 3 iterations. iteration 12: trace = 0.828394573579545 (0.0103432% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8283427444947822 (0.00625677% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8283194330460465 (0.00281427% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8283033017531329 (0.00194749% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8282937079890141 (0.00115825% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8282878480627425 (0.000707472% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8282850045906595 (0.000343296% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8282833184112278 (0.000203575% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8282822463842839 (0.000129428% change) linmin: converged after 5 iterations. iteration 21: trace = 0.828281645933129 (7.24936e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8282813061972929 (4.1017e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8282810615722307 (2.95341e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8282809635218542 (1.18378e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8282809080507751 (6.69713e-06% change) linmin: converged after 7 iterations. iteration 26: trace = 0.8282808797258102 (3.41973e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 0.8282808634907819 (1.96009e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8282808551640518 (1.0053e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8282808490579532 (7.37201e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8282808456817429 (4.07617e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8282808435851823 (2.53122e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8282808424976488 (1.313e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8282808418243391 (8.129e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8282808413684856 (5.50361e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8282808411400967 (2.75738e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8282808410003623 (1.68704e-08% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8282808409003344 (1.20766e-08% change) linmin: converged after 27 iterations. iteration 38: trace = 0.8282808408204201 (9.64821e-09% change) linmin: converged after 7 iterations. iteration 39: trace = 0.8282808407815183 (4.69669e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8282808407436563 (4.57116e-09% change) linmin: converged after 25 iterations. iteration 41: trace = 0.8282808407148372 (3.47938e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 0.8282808406920066 (2.75639e-09% change) linmin: converged after 2 iterations. iteration 43: trace = 0.8282808406803972 (1.40162e-09% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8282808406737886 (7.9787e-10% change) linmin: converged after 10 iterations. iteration 45: trace = 0.8282808406704848 (3.98875e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8282808406687536 (2.09008e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8282808406678077 (1.14202e-10% change) linmin: converged after 7 iterations. iteration 48: trace = 0.828280840667425 (4.62034e-11% change) Finished solving for bands 1 to 8 after 48 iterations. freqs:, 4, 0.3, 0, 0, 0.3, 0.107851, 0.140336, 0.25846, 0.340653, 0.367325, 0.372946, 0.405794, 0.418837 elapsed time for k point: 0.17531871795654297 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8297766891059705 (1.76584% change) linmin: converged after 4 iterations. iteration 2: trace = 0.827126168465749 (0.319937% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8255817084558966 (0.186901% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8228149488845111 (0.335691% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8213029828484377 (0.183924% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8204117591652833 (0.108572% change) linmin: converged after 4 iterations. iteration 7: trace = 0.820078298876689 (0.0406537% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8198547383796821 (0.0272646% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8197334194501104 (0.0147987% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8196549411872421 (0.00957409% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8196169098404152 (0.00464003% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8195957363298469 (0.00258338% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8195850475611317 (0.00130416% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8195801359377121 (0.000599284% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8195775858623278 (0.000311145% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8195759931744636 (0.000194331% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8195753474397359 (7.87889e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8195750259742762 (3.92234e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8195748466735 (2.18773e-05% change) linmin: converged after 9 iterations. iteration 20: trace = 0.8195747606874673 (1.04915e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8195747077048916 (6.46464e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8195746734680514 (4.17739e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8195746498620211 (2.88028e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8195746392254357 (1.29782e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.819574632834841 (7.79745e-07% change) linmin: converged after 13 iterations. iteration 26: trace = 0.8195746295494708 (4.00863e-07% change) linmin: converged after 13 iterations. iteration 27: trace = 0.819574628150171 (1.70735e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8195746272400561 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8195746268100966 (5.24613e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8195746265188533 (3.55359e-08% change) linmin: converged after 27 iterations. iteration 31: trace = 0.8195746264084736 (1.34679e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 0.8195746263156771 (1.13225e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8195746262714612 (5.39499e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8195746262510966 (2.48478e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8195746262406717 (1.27199e-09% change) linmin: converged after 15 iterations. iteration 36: trace = 0.8195746262340665 (8.05925e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 0.8195746262311596 (3.54684e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 0.8195746262301503 (1.2315e-10% change) linmin: converged after 11 iterations. iteration 39: trace = 0.8195746262296728 (5.82628e-11% change) Finished solving for bands 1 to 8 after 39 iterations. freqs:, 5, 0.4, 0, 0, 0.4, 0.1388, 0.176103, 0.23164, 0.313843, 0.374076, 0.377706, 0.407374, 0.410603 elapsed time for k point: 0.14448118209838867 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8202060387200576 (1.70382% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8182750241160189 (0.235708% change) linmin: converged after 4 iterations. iteration 3: trace = 0.817535559432626 (0.0904096% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8164009027530945 (0.138886% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8158262222327872 (0.0704167% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8155045628218415 (0.0394352% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8153935931190388 (0.0136084% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8153330404418098 (0.00742647% change) linmin: converged after 7 iterations. iteration 9: trace = 0.8153020394554229 (0.00380232% change) linmin: converged after 4 iterations. iteration 10: trace = 0.815283053454816 (0.00232873% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8152730327975205 (0.00122911% change) linmin: converged after 4 iterations. iteration 12: trace = 0.815266489638716 (0.000802576% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8152634044378041 (0.000378429% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8152616169738826 (0.00021925% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8152605303295448 (0.000133288% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8152599189119256 (7.49966e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8152596059346907 (3.83899e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8152594642120827 (1.73837e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8152593920835759 (8.84731e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8152593577039601 (4.21702e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8152593354987897 (2.72369e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.8152593247016575 (1.32438e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8152593173087741 (9.06814e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8152593138254385 (4.27267e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8152593120047846 (2.23322e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8152593112736239 (8.96844e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8152593110092122 (3.24328e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8152593108493351 (1.96106e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8152593107911446 (7.13768e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8152593107576598 (4.10725e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8152593107456172 (1.47715e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 0.8152593107377903 (9.60044e-10% change) linmin: converged after 10 iterations. iteration 33: trace = 0.8152593107338376 (4.84843e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 0.8152593107317028 (2.61861e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8152593107306813 (1.253e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8152593107299846 (8.54532e-11% change) Finished solving for bands 1 to 8 after 36 iterations. freqs:, 6, 0.5, 0, 0, 0.5, 0.154816, 0.192048, 0.216968, 0.300856, 0.374518, 0.385777, 0.401594, 0.407988 elapsed time for k point: 0.22218871116638184 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.8213704099867726 (1.52178% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8169092598691136 (0.544614% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8151043146603212 (0.221192% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8124543005631838 (0.325643% change) linmin: converged after 4 iterations. iteration 5: trace = 0.811240168559422 (0.149552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8106456426067773 (0.0733129% change) linmin: converged after 4 iterations. iteration 7: trace = 0.810403371041347 (0.0298907% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8102812528478489 (0.01507% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8102098418733521 (0.0088135% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8101705321405788 (0.00485191% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8101434675866164 (0.00334066% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8101271596843558 (0.00201298% change) linmin: converged after 4 iterations. iteration 13: trace = 0.810119052953955 (0.00100068% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8101141957189366 (0.000599572% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8101112551273706 (0.000362985% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8101100249752458 (0.00015185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8101093505151843 (8.32554e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 0.8101090557261185 (3.63888e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101089101963076 (1.79642e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 0.8101088685543416 (5.14029e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8101088443461921 (2.98826e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101088339233451 (1.2866e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101088287653663 (6.36702e-07% change) linmin: converged after 17 iterations. iteration 24: trace = 0.8101088257061436 (3.77631e-07% change) linmin: converged after 6 iterations. iteration 25: trace = 0.8101088238653266 (2.27231e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.810108822665528 (1.48103e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8101088219921038 (8.31276e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 0.810108821643532 (4.30278e-08% change) linmin: converged after 29 iterations. iteration 29: trace = 0.8101088214253349 (2.69343e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 0.8101088213419808 (1.02892e-08% change) linmin: converged after 3 iterations. iteration 31: trace = 0.8101088213102635 (3.91519e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 0.8101088212925482 (2.18678e-09% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8101088212829829 (1.18075e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101088212792966 (4.55034e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8101088212770255 (2.80342e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.810108821275652 (1.69554e-10% change) linmin: converged after 10 iterations. iteration 37: trace = 0.8101088212748289 (1.01606e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8101088212743903 (5.41332e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 7, 0.5, 0.1, 0, 0.509902, 0.15975, 0.195136, 0.218441, 0.305033, 0.358789, 0.391555, 0.402172, 0.402445 elapsed time for k point: 0.27997827529907227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 0.809273371128195 (1.38558% change) linmin: converged after 5 iterations. iteration 2: trace = 0.8062984969773834 (0.368275% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8053330558378826 (0.119809% change) linmin: converged after 5 iterations. iteration 4: trace = 0.80405922806096 (0.158299% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8034666835426599 (0.0737213% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8031100766844055 (0.0443934% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8029749352577331 (0.0168287% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028924749265977 (0.0102699% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8028467143041492 (0.00569963% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8028180397698028 (0.00357167% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8027995733460006 (0.00230023% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8027906687323354 (0.0011092% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8027867967539712 (0.000482316% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8027849000552016 (0.000236265% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8027839219051782 (0.000121845% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027834732207151 (5.58911e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8027832650213437 (2.59347e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8027831684655311 (1.20276e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027831163738792 (6.48888e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8027830991936692 (2.14008e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8027830866479162 (1.56278e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8027830797597423 (8.58037e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027830760515255 (4.6192e-07% change) linmin: converged after 9 iterations. iteration 24: trace = 0.8027830736191423 (3.02994e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8027830724307873 (1.48029e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8027830717575404 (8.38641e-08% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8027830715079984 (3.10846e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027830713939041 (1.42123e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8027830713270425 (8.32873e-09% change) linmin: converged after 14 iterations. iteration 30: trace = 0.8027830712989859 (3.49493e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8027830712879676 (1.37251e-09% change) linmin: converged after 16 iterations. iteration 32: trace = 0.8027830712796187 (1.03999e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8027830712735203 (7.5965e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027830712713143 (2.74796e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 0.8027830712698051 (1.88001e-10% change) linmin: converged after 15 iterations. iteration 36: trace = 0.802783071268766 (1.29432e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8027830712683004 (5.80017e-11% change) Finished solving for bands 1 to 8 after 37 iterations. freqs:, 8, 0.5, 0.2, 0, 0.538516, 0.173344, 0.203625, 0.222584, 0.316302, 0.340088, 0.36862, 0.387671, 0.424089 elapsed time for k point: 0.23276972770690918 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8068179225889665 (1.29517% change) linmin: converged after 3 iterations. iteration 2: trace = 0.804832588193017 (0.246373% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8042872136604009 (0.0677854% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8036249724599602 (0.0823728% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8032567356252627 (0.0458325% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8029920196650826 (0.0329608% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8028887415049023 (0.0128625% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8028182815775591 (0.00877619% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8027780187785131 (0.00501531% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8027521710407273 (0.00321984% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8027359476526511 (0.00202099% change) linmin: converged after 4 iterations. iteration 12: trace = 0.802727982914457 (0.000992204% change) linmin: converged after 3 iterations. iteration 13: trace = 0.802723880114383 (0.000511108% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8027211420985967 (0.000341091% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8027191516384169 (0.000247964% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8027176224959517 (0.000190496% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8027166889701804 (0.000116296% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8027162103596907 (5.96239e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8027159091591477 (3.75227e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8027158068781748 (1.27419e-05% change) linmin: converged after 10 iterations. iteration 21: trace = 0.8027157420448225 (8.07675e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 0.802715709343627 (4.07382e-06% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8027156963901343 (1.61371e-06% change) linmin: converged after 25 iterations. iteration 24: trace = 0.8027156897719367 (8.24476e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8027156870140796 (3.43566e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8027156854301956 (1.97316e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8027156847538376 (8.42587e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8027156842766868 (5.94421e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8027156840251561 (3.1335e-08% change) linmin: converged after 31 iterations. iteration 30: trace = 0.8027156839051044 (1.49557e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.8027156838537041 (6.4033e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8027156838186872 (4.3623e-09% change) linmin: converged after 13 iterations. iteration 33: trace = 0.8027156837999538 (2.33375e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8027156837942571 (7.09688e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8027156837904597 (4.7307e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8027156837880036 (3.05966e-10% change) linmin: converged after 7 iterations. iteration 37: trace = 0.8027156837870213 (1.22375e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8027156837865843 (5.44382e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 9, 0.5, 0.3, 0, 0.583095, 0.192437, 0.215224, 0.228468, 0.323728, 0.33113, 0.341965, 0.37019, 0.4458 elapsed time for k point: 0.24501633644104004 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8155294376424663 (1.37094% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8138776522734583 (0.202747% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8133742935541981 (0.0618661% change) linmin: converged after 4 iterations. iteration 4: trace = 0.8126556331426072 (0.0883945% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8121871670633984 (0.0576629% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8117923023583824 (0.0486293% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8116108115438246 (0.0223593% change) linmin: converged after 6 iterations. iteration 8: trace = 0.8114739977375731 (0.0168585% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8113791011440841 (0.011695% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8113085750803738 (0.0086925% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8112504355246271 (0.0071664% change) linmin: converged after 4 iterations. iteration 12: trace = 0.811211066717463 (0.00485297% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8111826254010386 (0.00350609% change) linmin: converged after 5 iterations. iteration 14: trace = 0.8111593523668564 (0.00286907% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8111444357100662 (0.00183895% change) linmin: converged after 4 iterations. iteration 16: trace = 0.811135444413941 (0.00110848% change) linmin: converged after 5 iterations. iteration 17: trace = 0.8111316026057794 (0.000473634% change) linmin: converged after 3 iterations. iteration 18: trace = 0.811130187145684 (0.000174505% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8111293526274589 (0.000102883% change) linmin: converged after 5 iterations. iteration 20: trace = 0.8111290114631691 (4.20604e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 0.8111287652725712 (3.03516e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8111286057812008 (1.96629e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8111285234429321 (1.01511e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8111284687546958 (6.74224e-06% change) linmin: converged after 12 iterations. iteration 25: trace = 0.8111284433478234 (3.13229e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8111284222032065 (2.60681e-06% change) linmin: converged after 7 iterations. iteration 27: trace = 0.8111284113560745 (1.33729e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8111284028317195 (1.05093e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 0.8111283987915656 (4.98091e-07% change) linmin: converged after 9 iterations. iteration 30: trace = 0.8111283967889734 (2.4689e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8111283955216915 (1.56237e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8111283948185323 (8.6689e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8111283945321676 (3.53045e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8111283944066422 (1.54754e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 0.8111283943165297 (1.11095e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 0.8111283942752676 (5.087e-09% change) linmin: converged after 19 iterations. iteration 37: trace = 0.8111283942632421 (1.48256e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8111283942557568 (9.22831e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.8111283942508334 (6.06981e-10% change) linmin: converged after 9 iterations. iteration 40: trace = 0.8111283942481876 (3.26184e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.81112839424681 (1.69833e-10% change) linmin: converged after 6 iterations. iteration 42: trace = 0.811128394246043 (9.45662e-11% change) Finished solving for bands 1 to 8 after 42 iterations. freqs:, 10, 0.5, 0.4, 0, 0.640312, 0.21184, 0.226, 0.234179, 0.311757, 0.318108, 0.344193, 0.3555, 0.465942 elapsed time for k point: 0.25623202323913574 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8290563269388784 (1.5156% change) linmin: converged after 3 iterations. iteration 2: trace = 0.8273550264785751 (0.20542% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8266224782205577 (0.0885802% change) large trace change predicted (0.193434%) linmin: converged after 4 iterations. iteration 4: trace = 0.8250101629050859 (0.195239% change) linmin: converged after 3 iterations. iteration 5: trace = 0.8239463222377366 (0.129032% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8228610425306505 (0.131804% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8221978507147034 (0.0806283% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8216235802290914 (0.0698702% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8211054695681614 (0.0630793% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8206083191293649 (0.0605648% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8201236287664798 (0.0590822% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8197787982981481 (0.042055% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8195406353236169 (0.0290563% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8193469211861539 (0.0236397% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8192379771359951 (0.0132973% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8191817953726388 (0.00685804% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8191490570081135 (0.00399655% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8191307360021227 (0.00223662% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8191110855888374 (0.00239896% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8190994002107381 (0.0014266% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8190864754428578 (0.00157794% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8190800027292462 (0.000790239% change) linmin: converged after 3 iterations. iteration 23: trace = 0.8190771103947635 (0.000353121% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8190748139325353 (0.000280372% change) linmin: converged after 5 iterations. iteration 25: trace = 0.8190737905148722 (0.000124948% change) linmin: converged after 4 iterations. iteration 26: trace = 0.8190729885719623 (9.79086e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 0.8190726416048181 (4.2361e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8190724446469992 (2.40464e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8190723634326225 (9.91541e-06% change) linmin: converged after 3 iterations. iteration 30: trace = 0.8190723223059518 (5.02113e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 0.819072293636266 (3.50026e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8190722799506965 (1.67086e-06% change) linmin: converged after 3 iterations. iteration 33: trace = 0.8190722717209697 (1.00476e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8190722641678607 (9.22154e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 0.8190722569175918 (8.85181e-07% change) linmin: converged after 20 iterations. iteration 36: trace = 0.819072252398658 (5.51714e-07% change) linmin: converged after 18 iterations. iteration 37: trace = 0.8190722470126064 (6.5758e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8190722404773362 (7.97887e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8190722358112694 (5.69677e-07% change) linmin: converged after 3 iterations. iteration 40: trace = 0.8190722327134291 (3.78213e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8190722304560935 (2.75597e-07% change) linmin: converged after 4 iterations. iteration 42: trace = 0.8190722291582522 (1.58453e-07% change) linmin: converged after 4 iterations. iteration 43: trace = 0.8190722281638675 (1.21404e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8190722275599085 (7.3737e-08% change) linmin: converged after 2 iterations. iteration 45: trace = 0.8190722273229317 (2.89323e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 0.8190722271693935 (1.87454e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 0.8190722271071573 (7.59838e-09% change) linmin: converged after 10 iterations. iteration 48: trace = 0.8190722270707893 (4.44015e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 0.8190722270585126 (1.49886e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 0.8190722270528337 (6.93333e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 0.8190722270495949 (3.95416e-10% change) linmin: converged after 2 iterations. iteration 52: trace = 0.8190722270481852 (1.72117e-10% change) linmin: converged after 2 iterations. iteration 53: trace = 0.8190722270474002 (9.58313e-11% change) Finished solving for bands 1 to 8 after 53 iterations. freqs:, 11, 0.5, 0.5, 0, 0.707107, 0.221357, 0.230619, 0.236708, 0.307149, 0.30715, 0.349538, 0.349539, 0.477307 elapsed time for k point: 0.438554048538208 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8318723245698361 (3.13082% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8276838458231727 (0.504771% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8250719751639439 (0.316062% change) large trace change predicted (0.829962%) linmin: converged after 5 iterations. iteration 4: trace = 0.8181500821756009 (0.842478% change) linmin: converged after 5 iterations. iteration 5: trace = 0.8146308841822318 (0.431068% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8121449348964213 (0.305629% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8110067055704764 (0.140249% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8102662668394681 (0.0913404% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8097637147394906 (0.0620423% change) linmin: converged after 3 iterations. iteration 10: trace = 0.8094608758573285 (0.0374054% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8092619572238918 (0.0245772% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8091489869963024 (0.0139606% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8090914838523688 (0.00710687% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8090524495611096 (0.00482458% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8090299048314704 (0.0027866% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8090196961708989 (0.00126185% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8090149532580024 (0.000586256% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8090133783585416 (0.000194669% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8090122091828419 (0.000144519% change) linmin: converged after 3 iterations. iteration 20: trace = 0.809011746549078 (5.7185e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 0.8090114311733304 (3.89828e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8090112622133518 (2.08847e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8090112032213227 (7.29187e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8090111645767121 (4.77677e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8090111496273182 (1.84786e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8090111376871478 (1.4759e-06% change) linmin: converged after 10 iterations. iteration 27: trace = 0.8090111299481263 (9.56603e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.8090111234591612 (8.02086e-07% change) linmin: converged after 17 iterations. iteration 29: trace = 0.8090111190077983 (5.50223e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8090111160067402 (3.70954e-07% change) linmin: converged after 11 iterations. iteration 31: trace = 0.8090111140715618 (2.39203e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 0.809011112840562 (1.52161e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.8090111123538603 (6.01601e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8090111120761603 (3.43259e-08% change) linmin: converged after 25 iterations. iteration 35: trace = 0.809011111827572 (3.07274e-08% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8090111117288276 (1.22056e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8090111116923977 (4.50301e-09% change) linmin: converged after 5 iterations. iteration 38: trace = 0.8090111116668663 (3.15587e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 0.8090111116513794 (1.91431e-09% change) linmin: converged after 6 iterations. iteration 40: trace = 0.8090111116440928 (9.00682e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 0.8090111116401751 (4.84251e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 0.8090111116384469 (2.13629e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 0.8090111116376205 (1.02142e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 0.8090111116370096 (7.55188e-11% change) Finished solving for bands 1 to 8 after 44 iterations. freqs:, 12, 0.4, 0.4, 0, 0.565685, 0.19918, 0.2202, 0.239097, 0.309959, 0.330944, 0.347653, 0.354078, 0.460272 elapsed time for k point: 0.3204174041748047 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 0.8171851170997577 (2.82615% change) linmin: converged after 4 iterations. iteration 2: trace = 0.813918027365284 (0.400599% change) linmin: converged after 3 iterations. iteration 3: trace = 0.8130234308008992 (0.109973% change) linmin: converged after 4 iterations. iteration 4: trace = 0.811581624060812 (0.177496% change) linmin: converged after 4 iterations. iteration 5: trace = 0.8108367043900603 (0.0918283% change) linmin: converged after 3 iterations. iteration 6: trace = 0.8104212308344327 (0.0512532% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8102651075147203 (0.0192663% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8101854245831392 (0.00983466% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8101424830515994 (0.00530035% change) linmin: converged after 3 iterations. iteration 10: trace = 0.810120944553498 (0.00265864% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8101107143717293 (0.0012628% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8101053670865769 (0.000660071% change) linmin: converged after 3 iterations. iteration 13: trace = 0.8101033097483941 (0.00025396% change) linmin: converged after 2 iterations. iteration 14: trace = 0.8101024191779366 (0.000109933% change) linmin: converged after 2 iterations. iteration 15: trace = 0.8101019341435778 (5.98732e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8101016896360236 (3.01823e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 0.8101015590582973 (1.61187e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.8101015104593604 (5.99912e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.8101014866005619 (2.94516e-06% change) linmin: converged after 8 iterations. iteration 20: trace = 0.8101014766732865 (1.22544e-06% change) linmin: converged after 24 iterations. iteration 21: trace = 0.8101014719162717 (5.87212e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.8101014694525338 (3.04127e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.8101014680412485 (1.74211e-07% change) linmin: converged after 8 iterations. iteration 24: trace = 0.8101014671897425 (1.05111e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 0.8101014666458735 (6.71359e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 0.810101466366896 (3.44374e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 0.8101014662654042 (1.25283e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8101014662094285 (6.90972e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 0.8101014661850829 (3.00524e-09% change) linmin: converged after 16 iterations. iteration 30: trace = 0.8101014661721252 (1.59952e-09% change) linmin: converged after 7 iterations. iteration 31: trace = 0.8101014661683199 (4.6973e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8101014661663739 (2.40217e-10% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8101014661650519 (1.63196e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8101014661646312 (5.19273e-11% change) Finished solving for bands 1 to 8 after 34 iterations. freqs:, 13, 0.3, 0.3, 0, 0.424264, 0.153826, 0.186625, 0.253882, 0.318156, 0.351842, 0.366269, 0.371004, 0.436281 elapsed time for k point: 0.21282172203063965 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8384802898748622 (2.88371% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8342584911066918 (0.504777% change) linmin: converged after 4 iterations. iteration 3: trace = 0.8324378232300615 (0.218476% change) linmin: converged after 5 iterations. iteration 4: trace = 0.8292138799100831 (0.388041% change) linmin: converged after 4 iterations. iteration 5: trace = 0.827322253232385 (0.228383% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8262867608253194 (0.12524% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8257462495266317 (0.0654359% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8254198265357116 (0.0395385% change) linmin: converged after 3 iterations. iteration 9: trace = 0.8251898663616859 (0.0278637% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8250606384828725 (0.0156616% change) linmin: converged after 3 iterations. iteration 11: trace = 0.8249885908464112 (0.00873279% change) linmin: converged after 3 iterations. iteration 12: trace = 0.8249476216823384 (0.00496615% change) linmin: converged after 4 iterations. iteration 13: trace = 0.824928537065068 (0.00231346% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8249170794087202 (0.00138894% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8249097450566565 (0.000889106% change) linmin: converged after 4 iterations. iteration 16: trace = 0.8249057647163063 (0.000482519% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8249036821750686 (0.000252458% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8249026994258288 (0.000119135% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8249021282724944 (6.92389e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8249018605074976 (3.24602e-05% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8249016803447531 (2.18405e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 0.8249015845869494 (1.16084e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 0.8249015344706885 (6.07542e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 0.8249015089280831 (3.09644e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.8249014948902105 (1.70176e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 0.8249014886144899 (7.60784e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.82490148538737 (3.91213e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 0.8249014836509996 (2.10494e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 0.8249014827636327 (1.07572e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 0.824901482377576 (4.68003e-08% change) linmin: converged after 26 iterations. iteration 31: trace = 0.8249014822007916 (2.1431e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8249014820905052 (1.33697e-08% change) linmin: converged after 6 iterations. iteration 33: trace = 0.8249014820217433 (8.33577e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 0.8249014819930203 (3.48199e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8249014819693666 (2.86745e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.824901481953957 (1.86806e-09% change) linmin: converged after 22 iterations. iteration 37: trace = 0.8249014819460342 (9.60451e-10% change) linmin: converged after 16 iterations. iteration 38: trace = 0.8249014819420621 (4.81517e-10% change) linmin: converged after 13 iterations. iteration 39: trace = 0.8249014819395273 (3.07293e-10% change) linmin: converged after 18 iterations. iteration 40: trace = 0.8249014819380525 (1.78787e-10% change) linmin: converged after 16 iterations. iteration 41: trace = 0.8249014819373073 (9.03358e-11% change) Finished solving for bands 1 to 8 after 41 iterations. freqs:, 14, 0.2, 0.2, 0, 0.282843, 0.103673, 0.133382, 0.276682, 0.331086, 0.368234, 0.382194, 0.398022, 0.412434 elapsed time for k point: 0.14656424522399902 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 0.8480483504579561 (3.58198% change) linmin: converged after 6 iterations. iteration 2: trace = 0.8430089126034128 (0.59601% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8384490944510825 (0.542365% change) linmin: converged after 6 iterations. iteration 4: trace = 0.833504242190635 (0.591506% change) linmin: converged after 6 iterations. iteration 5: trace = 0.8312006937664944 (0.276752% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8303345713220793 (0.104256% change) linmin: converged after 3 iterations. iteration 7: trace = 0.8298720782409875 (0.0557151% change) linmin: converged after 3 iterations. iteration 8: trace = 0.8296438183420806 (0.0275092% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8295035920716755 (0.0169034% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8294292605779823 (0.00896136% change) linmin: converged after 5 iterations. iteration 11: trace = 0.8293938184228468 (0.00427317% change) linmin: converged after 3 iterations. iteration 12: trace = 0.829375645803089 (0.0021911% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8293681148786946 (0.000908027% change) linmin: converged after 3 iterations. iteration 14: trace = 0.8293644321962761 (0.000444036% change) linmin: converged after 3 iterations. iteration 15: trace = 0.8293622462035651 (0.000263575% change) linmin: converged after 3 iterations. iteration 16: trace = 0.8293611088425483 (0.000137137% change) linmin: converged after 3 iterations. iteration 17: trace = 0.8293605063723064 (7.26427e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.8293602062722002 (3.61845e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 0.8293600606222393 (1.75617e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 0.8293599788560098 (9.85895e-06% change) linmin: converged after 3 iterations. iteration 21: trace = 0.8293599294100369 (5.96194e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 0.8293598981795791 (3.76561e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 0.829359881782837 (1.97704e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 0.8293598714059198 (1.2512e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8293598655872598 (7.01584e-07% change) linmin: converged after 12 iterations. iteration 26: trace = 0.8293598628133533 (3.34464e-07% change) linmin: converged after 21 iterations. iteration 27: trace = 0.8293598612781719 (1.85104e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.8293598604061101 (1.05149e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 0.8293598600266698 (4.5751e-08% change) linmin: converged after 22 iterations. iteration 30: trace = 0.8293598598808711 (1.75797e-08% change) linmin: converged after 4 iterations. iteration 31: trace = 0.829359859814782 (7.96869e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 0.8293598597813747 (4.02808e-09% change) linmin: converged after 11 iterations. iteration 33: trace = 0.8293598597669902 (1.73441e-09% change) linmin: converged after 4 iterations. iteration 34: trace = 0.8293598597619849 (6.03517e-10% change) linmin: converged after 16 iterations. iteration 35: trace = 0.8293598597589518 (3.65719e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 0.829359859757155 (2.16647e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 0.8293598597560852 (1.28992e-10% change) linmin: converged after 20 iterations. iteration 38: trace = 0.8293598597555056 (6.98776e-11% change) Finished solving for bands 1 to 8 after 38 iterations. freqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0520822, 0.0690311, 0.302853, 0.347811, 0.385316, 0.389474, 0.390006, 0.396139 elapsed time for k point: 0.15242838859558105 solve_kpoint (0,0,0): Solving for bands 3 to 8... linmin: converged after 4 iterations. iteration 1: trace = 0.8480940244309446 (1.69227% change) linmin: converged after 4 iterations. iteration 2: trace = 0.8419235022329321 (0.730232% change) linmin: converged after 5 iterations. iteration 3: trace = 0.8394087479197274 (0.299138% change) linmin: converged after 4 iterations. iteration 4: trace = 0.836466267239855 (0.351158% change) linmin: converged after 4 iterations. iteration 5: trace = 0.834672354538319 (0.214693% change) linmin: converged after 4 iterations. iteration 6: trace = 0.8334606568479985 (0.145276% change) linmin: converged after 4 iterations. iteration 7: trace = 0.8328462065781603 (0.07375% change) linmin: converged after 4 iterations. iteration 8: trace = 0.8325101793123081 (0.040355% change) linmin: converged after 4 iterations. iteration 9: trace = 0.8322457691396173 (0.0317656% change) linmin: converged after 4 iterations. iteration 10: trace = 0.8321412516982053 (0.0125593% change) linmin: converged after 4 iterations. iteration 11: trace = 0.8320852115237597 (0.00673468% change) linmin: converged after 4 iterations. iteration 12: trace = 0.8320477512855995 (0.00450207% change) linmin: converged after 4 iterations. iteration 13: trace = 0.8320325851853662 (0.00182276% change) linmin: converged after 4 iterations. iteration 14: trace = 0.8320268694258969 (0.000686966% change) linmin: converged after 4 iterations. iteration 15: trace = 0.8320236470047006 (0.000387298% change) linmin: converged after 4 iterations. iteration 16: trace = 0.832022038583722 (0.000193315% change) linmin: converged after 4 iterations. iteration 17: trace = 0.8320210664606004 (0.000116839% change) linmin: converged after 2 iterations. iteration 18: trace = 0.8320206058344797 (5.53623e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 0.8320203906623702 (2.58614e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 0.8320202605730955 (1.56353e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 0.8320201840423708 (9.19818e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 0.83202013794228 (5.54074e-06% change) linmin: converged after 7 iterations. iteration 23: trace = 0.8320200998172953 (4.58222e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 0.8320200739733764 (3.10617e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 0.8320200654921726 (1.01935e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 0.8320200619872656 (4.21253e-07% change) linmin: converged after 3 iterations. iteration 27: trace = 0.8320200597339977 (2.70819e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 0.832020058365486 (1.64481e-07% change) linmin: converged after 19 iterations. iteration 29: trace = 0.8320200576761879 (8.28463e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 0.8320200574763272 (2.40211e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 0.8320200573161726 (1.92489e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 0.8320200572338544 (9.89377e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 0.832020057197676 (4.34826e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.8320200571735461 (2.90016e-09% change) linmin: converged after 3 iterations. iteration 35: trace = 0.8320200571592896 (1.71348e-09% change) linmin: converged after 3 iterations. iteration 36: trace = 0.8320200571525682 (8.07841e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.8320200571484559 (4.94251e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.8320200571461505 (2.77095e-10% change) linmin: converged after 5 iterations. iteration 39: trace = 0.8320200571449834 (1.40269e-10% change) linmin: converged after 2 iterations. iteration 40: trace = 0.8320200571443123 (8.06627e-11% change) Finished solving for bands 3 to 8 after 40 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.318992, 0.365115, 0.370143, 0.370147, 0.401833, 0.401833 ..elapsed time for k point: 0.11192440986633301 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.22135702280024688 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.23061915826414672 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.21696776954474586 at Vector3<0.5, 0.0, 0.0> to 0.31899247656855384 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.3008564830839497 at Vector3<0.5, 0.0, 0.0> to 0.3651152537651722 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.30714983400393553 at Vector3<0.5, 0.5, 0.0> to 0.38531636177147244 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Band 6 range: 0.34196472550762014 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.3915546844259549 at Vector3<0.5, 0.1, 0.0> Band 7 range: 0.34953853766123844 at Vector3<0.5, 0.5, 0.0> to 0.4073736001230428 at Vector3<0.4, 0.0, 0.0> Band 8 range: 0.39613882331011085 at Vector3<0.09999999999999998, 0.09999999999999998, 0.0> to 0.477306572259159 at Vector3<0.5, 0.5, 0.0> total elapsed time for run: 3.5546622276306152 done /tmp/meepakjAzV/test_anisotropic_2d_gap-0: 3.59s /tmp/meepakjAzV/test_attribute_accessors-0 ======================== /tmp/meepakjAzV/test_attribute_accessors-0: 0.00s /tmp/meepakjAzV/test_bragg-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 1e+20, height 0.25, axis (1, 0, 0) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.00019860267639160156 solve_kpoint (0.5,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 1 to 8... near maximum in trace linmin: converged after 20 iterations. iteration 1: trace = 27.80144625027669 (180.5% change) linmin: converged after 8 iterations. iteration 2: trace = 19.82418800010011 (33.4999% change) linmin: converged after 7 iterations. iteration 3: trace = 18.80241114661619 (5.29053% change) linmin: converged after 5 iterations. iteration 4: trace = 18.64391851982911 (0.846506% change) linmin: converged after 8 iterations. iteration 5: trace = 18.63017324216899 (0.0737524% change) linmin: converged after 5 iterations. iteration 6: trace = 18.62916003541502 (0.00543867% change) linmin: converged after 4 iterations. iteration 7: trace = 18.62909545680369 (0.000346654% change) linmin: converged after 4 iterations. switching to approximate line minimization (decrease time by 52.381%) iteration 8: trace = 18.62908848466774 (3.74261e-05% change) iteration 9: trace = 18.62908777892164 (3.78841e-06% change) switching back to exact line minimization iteration 10: trace = 18.62908770027624 (4.22165e-07% change) linmin: converged after 6 iterations. iteration 11: trace = 18.62908769513806 (2.75815e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 18.62908769491184 (1.21435e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 18.6290876948818 (1.61263e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 18.62908769487106 (5.7651e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 1, 0.5, 0, 0, 0.5, 0.222451, 0.443471, 0.892368, 1.10456, 1.56579, 1.75949, 2.24248, 2.40631 elapsed time for k point: 0.001979827880859375 total elapsed time for run: 0.00226593017578125 done Fixing h-field (band 8) phase by 0.909537 + -0.415623i; max ampl. = 1.96664 .Outputting fields to /tmp/meepakjAzV/test_bragg-0-h.k01.b08.y.tm.h5... /tmp/meepakjAzV/test_bragg-0: 0.01s /tmp/meepakjAzV/test_bragg_sine-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 1 dimensions. Grid size is 32 x 1 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 11 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.05, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.15000000000000002, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.25, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.35000000000000003, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.45, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> elapsed time for initialization: 0.0032956600189208984 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 19 iterations. iteration 1: trace = 17.30275056401984 (175.314% change) linmin: converged after 8 iterations. iteration 2: trace = 11.9760373863671 (36.3862% change) linmin: converged after 6 iterations. iteration 3: trace = 11.17691626013078 (6.90297% change) linmin: converged after 5 iterations. iteration 4: trace = 11.08896486917231 (0.79001% change) linmin: converged after 6 iterations. iteration 5: trace = 11.08297661618686 (0.0540165% change) linmin: converged after 8 iterations. iteration 6: trace = 11.08249596622674 (0.00433692% change) linmin: converged after 5 iterations. iteration 7: trace = 11.08219937792676 (0.00267622% change) large trace change predicted (0.0167811%) linmin: converged after 6 iterations. iteration 8: trace = 11.08038974001353 (0.0163306% change) large trace change predicted (0.0812502%) linmin: converged after 8 iterations. iteration 9: trace = 11.07305304217878 (0.0662353% change) linmin: converged after 5 iterations. iteration 10: trace = 11.07180721242442 (0.0112516% change) linmin: converged after 7 iterations. iteration 11: trace = 11.07168890779527 (0.00106853% change) linmin: converged after 6 iterations. iteration 12: trace = 11.07167968197878 (8.3328e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 11.07167908240041 (5.41542e-06% change) linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 51.8868%) iteration 14: trace = 11.07167889420393 (1.6998e-06% change) iteration 15: trace = 11.0716779976237 (8.09796e-06% change) iteration 16: trace = 11.07167518719081 (2.5384e-05% change) iteration 17: trace = 11.07167456093305 (5.6564e-06% change) iteration 18: trace = 11.07167451845902 (3.83628e-07% change) iteration 19: trace = 11.0716745146709 (3.42145e-08% change) iteration 20: trace = 11.07167451443016 (2.17438e-09% change) iteration 21: trace = 11.0716745143937 (3.29274e-10% change) iteration 22: trace = 11.07167451429858 (8.59181e-10% change) iteration 23: trace = 11.07167451395079 (3.14127e-09% change) iteration 24: trace = 11.07167451360991 (3.07881e-09% change) iteration 25: trace = 11.07167451351465 (8.60384e-10% change) iteration 26: trace = 11.07167451350871 (5.36837e-11% change) Finished solving for bands 2 to 8 after 26 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.468775, 0.546626, 0.989349, 1.02405, 1.49704, 1.51158, 1.99991 elapsed time for k point: 0.0025320053100585938 solve_kpoint (0.05,0,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 11.04205589335819 (0.320414% change) linmin: converged after 11 iterations. switching to approximate line minimization (decrease time by 54.1353%) iteration 2: trace = 11.02779351867074 (0.129248% change) iteration 3: trace = 11.02770475042544 (0.000804953% change) switching back to exact line minimization large trace change predicted (0.0932951%) linmin: converged after 10 iterations. iteration 4: trace = 11.01806746706182 (0.0874298% change) linmin: converged after 6 iterations. iteration 5: trace = 11.01664404674312 (0.0129198% change) linmin: converged after 7 iterations. iteration 6: trace = 11.01540354927172 (0.0112608% change) linmin: converged after 8 iterations. iteration 7: trace = 11.01433928375019 (0.00966208% change) linmin: converged after 7 iterations. iteration 8: trace = 11.01352665863151 (0.00737816% change) linmin: converged after 6 iterations. iteration 9: trace = 11.01297368604901 (0.00502098% change) linmin: converged after 6 iterations. iteration 10: trace = 11.01260367498397 (0.00335983% change) linmin: converged after 7 iterations. iteration 11: trace = 11.01234600828291 (0.00233977% change) linmin: converged after 7 iterations. iteration 12: trace = 11.01215736521394 (0.00171303% change) linmin: converged after 5 iterations. iteration 13: trace = 11.01201270994144 (0.0013136% change) linmin: converged after 5 iterations. iteration 14: trace = 11.01189720798149 (0.00104888% change) linmin: converged after 6 iterations. iteration 15: trace = 11.01180164458289 (0.000867823% change) linmin: converged after 6 iterations. iteration 16: trace = 11.01172002227122 (0.000741229% change) linmin: converged after 5 iterations. iteration 17: trace = 11.01164825313236 (0.000651754% change) linmin: converged after 5 iterations. iteration 18: trace = 11.01158341982805 (0.000588772% change) linmin: converged after 5 iterations. iteration 19: trace = 11.01152333759738 (0.000545629% change) linmin: converged after 5 iterations. iteration 20: trace = 11.01146628263761 (0.00051814% change) linmin: converged after 5 iterations. iteration 21: trace = 11.01141081766347 (0.000503703% change) linmin: converged after 5 iterations. iteration 22: trace = 11.01135567480688 (0.00050078% change) linmin: converged after 5 iterations. iteration 23: trace = 11.01129967373822 (0.000508577% change) linmin: converged after 5 iterations. iteration 24: trace = 11.01124166425714 (0.000526819% change) linmin: converged after 7 iterations. iteration 25: trace = 11.01118048582044 (0.000555601% change) linmin: converged after 5 iterations. iteration 26: trace = 11.01111494136685 (0.000595255% change) linmin: converged after 5 iterations. iteration 27: trace = 11.01104378715495 (0.000646206% change) linmin: converged after 5 iterations. iteration 28: trace = 11.01096573549305 (0.000708851% change) linmin: converged after 5 iterations. iteration 29: trace = 11.01087947554889 (0.000783403% change) linmin: converged after 6 iterations. iteration 30: trace = 11.01078370865238 (0.000869752% change) linmin: converged after 6 iterations. iteration 31: trace = 11.01067719511959 (0.000967361% change) linmin: converged after 7 iterations. iteration 32: trace = 11.0105588184778 (0.00107511% change) linmin: converged after 6 iterations. iteration 33: trace = 11.01042763386273 (0.00119145% change) linmin: converged after 5 iterations. iteration 34: trace = 11.0102829332154 (0.00131422% change) linmin: converged after 7 iterations. iteration 35: trace = 11.01012428690288 (0.0014409% change) linmin: converged after 7 iterations. iteration 36: trace = 11.00995166081934 (0.0015679% change) linmin: converged after 6 iterations. iteration 37: trace = 11.00976540309208 (0.00169174% change) linmin: converged after 7 iterations. iteration 38: trace = 11.0095663406236 (0.00180807% change) linmin: converged after 5 iterations. iteration 39: trace = 11.00935597949786 (0.00191073% change) linmin: converged after 6 iterations. iteration 40: trace = 11.00913645340698 (0.00199402% change) linmin: converged after 5 iterations. iteration 41: trace = 11.00891053152842 (0.00205215% change) linmin: converged after 8 iterations. iteration 42: trace = 11.00868145429236 (0.00208086% change) linmin: converged after 6 iterations. iteration 43: trace = 11.00845263388484 (0.00207857% change) linmin: converged after 5 iterations. iteration 44: trace = 11.00822723038049 (0.00204757% change) linmin: converged after 8 iterations. iteration 45: trace = 11.00800786328904 (0.00199278% change) linmin: converged after 6 iterations. iteration 46: trace = 11.00779643783161 (0.00192067% change) linmin: converged after 5 iterations. iteration 47: trace = 11.00759390248773 (0.00183994% change) linmin: converged after 6 iterations. iteration 48: trace = 11.00740071738865 (0.00175503% change) linmin: converged after 5 iterations. iteration 49: trace = 11.00721679634582 (0.0016709% change) linmin: converged after 7 iterations. iteration 50: trace = 11.00704174241288 (0.00159037% change) linmin: converged after 6 iterations. iteration 51: trace = 11.00687501456139 (0.00151475% change) linmin: converged after 5 iterations. iteration 52: trace = 11.00671594221069 (0.00144522% change) linmin: converged after 5 iterations. iteration 53: trace = 11.0065639269633 (0.00138112% change) linmin: converged after 6 iterations. iteration 54: trace = 11.00641839206615 (0.00132226% change) linmin: converged after 6 iterations. iteration 55: trace = 11.00627882365528 (0.00126807% change) linmin: converged after 6 iterations. iteration 56: trace = 11.00614477805909 (0.00121791% change) linmin: converged after 5 iterations. iteration 57: trace = 11.00601589002765 (0.00117106% change) linmin: converged after 6 iterations. iteration 58: trace = 11.00589182996989 (0.00112721% change) linmin: converged after 5 iterations. iteration 59: trace = 11.00577235804738 (0.00108553% change) linmin: converged after 6 iterations. iteration 60: trace = 11.00565724990092 (0.00104589% change) linmin: converged after 5 iterations. iteration 61: trace = 11.0055463444867 (0.00100772% change) linmin: converged after 5 iterations. iteration 62: trace = 11.00543948448586 (0.00097097% change) linmin: converged after 5 iterations. iteration 63: trace = 11.00533654887428 (0.00093532% change) linmin: converged after 6 iterations. iteration 64: trace = 11.00523742354759 (0.000900706% change) linmin: converged after 5 iterations. iteration 65: trace = 11.00514200366712 (0.000867044% change) linmin: converged after 5 iterations. iteration 66: trace = 11.00505018069374 (0.000834368% change) linmin: converged after 5 iterations. iteration 67: trace = 11.00496184504172 (0.000802686% change) linmin: converged after 7 iterations. iteration 68: trace = 11.00487689134744 (0.000771961% change) linmin: converged after 5 iterations. iteration 69: trace = 11.00479520018456 (0.000742321% change) resetting CG direction... large trace change predicted (0.115539%) linmin: converged after 7 iterations. iteration 70: trace = 10.99202103429551 (0.116146% change) linmin: converged after 6 iterations. iteration 71: trace = 10.99062236117629 (0.0127252% change) linmin: converged after 8 iterations. iteration 72: trace = 10.98948431511006 (0.0103552% change) linmin: converged after 6 iterations. iteration 73: trace = 10.98818648561436 (0.0118104% change) linmin: converged after 5 iterations. iteration 74: trace = 10.98802559188107 (0.00146425% change) linmin: converged after 4 iterations. iteration 75: trace = 10.98801515639975 (9.49714e-05% change) linmin: converged after 5 iterations. iteration 76: trace = 10.98801412705257 (9.36791e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 10.9880140963765 (2.79178e-07% change) linmin: converged after 4 iterations. iteration 78: trace = 10.98801409322136 (2.87144e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 10.98801409310473 (1.06138e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 10.98801409303983 (5.90652e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 10.98801409311148 (6.5202e-10% change) linmin: converged after 3 iterations. iteration 82: trace = 10.98801409299052 (1.1008e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 10.98801409304876 (5.29996e-10% change) linmin: converged after 4 iterations. iteration 84: trace = 10.98801409304146 (6.64274e-11% change) Finished solving for bands 1 to 8 after 84 iterations. tmfreqs:, 2, 0.05, 0, 0, 0.05, 0.0235585, 0.461962, 0.553534, 0.976586, 1.03685, 1.4784, 1.53022, 1.97778 elapsed time for k point: 0.011743545532226562 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 10.90376046824373 (0.00793522% change) linmin: converged after 4 iterations. iteration 2: trace = 10.90359830907354 (0.0014872% change) linmin: converged after 3 iterations. iteration 3: trace = 10.90350960463483 (0.000813537% change) linmin: converged after 7 iterations. iteration 4: trace = 10.90345230354924 (0.00052553% change) linmin: converged after 4 iterations. iteration 5: trace = 10.90344655289567 (5.27416e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 10.90344608445378 (4.29627e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.90344604871542 (3.27771e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.9034460473527 (1.24981e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 10.9034460473056 (4.31926e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 10.90344604730442 (1.08829e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 3, 0.1, 0, 0, 0.1, 0.047044, 0.445964, 0.569827, 0.954549, 1.059, 1.45407, 1.55459, 1.95293 elapsed time for k point: 0.0013134479522705078 solve_kpoint (0.15,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.82874318743302 (0.00713648% change) linmin: converged after 3 iterations. iteration 2: trace = 10.82865179048751 (0.000844025% change) linmin: converged after 4 iterations. iteration 3: trace = 10.8286391456429 (0.000116772% change) linmin: converged after 5 iterations. iteration 4: trace = 10.82863201430636 (6.58563e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.82863047384795 (1.42258e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 10.82863033630219 (1.2702e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 10.82863032427763 (1.11044e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 10.82863032376797 (4.70661e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.8286303237533 (1.35499e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 10.82863032375297 (3.01838e-12% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 4, 0.15, 0, 0, 0.15, 0.0703703, 0.426194, 0.590125, 0.931007, 1.08275, 1.42941, 1.5793, 1.92803 elapsed time for k point: 0.0012328624725341797 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.76383414066022 (0.00702665% change) linmin: converged after 4 iterations. iteration 2: trace = 10.76375283235569 (0.000755387% change) linmin: converged after 4 iterations. iteration 3: trace = 10.76374658323256 (5.80571e-05% change) linmin: converged after 5 iterations. iteration 4: trace = 10.76374528581931 (1.20535e-05% change) linmin: converged after 5 iterations. iteration 5: trace = 10.76374486740369 (3.88727e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 10.76374482182858 (4.23413e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.76374481723281 (4.26968e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.76374481699878 (2.17426e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.76374481699274 (5.60942e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 5, 0.2, 0, 0, 0.2, 0.0934195, 0.40505, 0.612091, 0.907101, 1.10696, 1.40468, 1.6041, 1.90311 elapsed time for k point: 0.0011150836944580078 solve_kpoint (0.25,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.70890918978214 (0.00701169% change) linmin: converged after 4 iterations. iteration 2: trace = 10.70883098425239 (0.000730287% change) linmin: converged after 5 iterations. iteration 3: trace = 10.70882611989432 (4.54238e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.70882574797966 (3.47297e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.70882564389908 (9.71914e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.70882562957837 (1.33728e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 10.70882562792913 (1.54008e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 10.70882562781417 (1.07346e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 10.70882562781128 (2.70049e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 6, 0.25, 0, 0, 0.25, 0.11601, 0.383577, 0.634793, 0.883153, 1.13136, 1.37995, 1.62894, 1.8782 elapsed time for k point: 0.0011031627655029297 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.66396644581557 (0.00701938% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6638895643872 (0.000720948% change) linmin: converged after 6 iterations. iteration 3: trace = 10.66388515749335 (4.13254e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.66388497807411 (1.68249e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.66388495145453 (2.49624e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 10.66388494762052 (3.59533e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 10.66388494718304 (4.10246e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 10.66388494713199 (4.78709e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.66388494713049 (1.40424e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 7, 0.3, 0, 0, 0.3, 0.137834, 0.362445, 0.657758, 0.859352, 1.15583, 1.35526, 1.65379, 1.8533 elapsed time for k point: 0.0011432170867919922 solve_kpoint (0.35,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.62900860023464 (0.00703179% change) linmin: converged after 4 iterations. iteration 2: trace = 10.6289323953069 (0.000716955% change) linmin: converged after 5 iterations. iteration 3: trace = 10.62892818217895 (3.96383e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.62892805633392 (1.18399e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.62892804707553 (8.71056e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.62892804604186 (9.72507e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.62892804597542 (6.2508e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.62892804596423 (1.05255e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 10.62892804596352 (6.73513e-12% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 8, 0.35, 0, 0, 0.35, 0.15832, 0.342396, 0.6806, 0.835947, 1.18029, 1.33065, 1.67864, 1.82841 elapsed time for k point: 0.0011112689971923828 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.60403759597599 (0.00704272% change) linmin: converged after 4 iterations. iteration 2: trace = 10.60396176516587 (0.000715115% change) linmin: converged after 5 iterations. iteration 3: trace = 10.6039576473093 (3.88332e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.60395754101094 (1.00244e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 10.60395753615697 (4.57751e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.60395753572879 (4.03789e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.60395753570917 (1.85074e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 10.6039575357088 (3.45088e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 9, 0.4, 0, 0, 0.4, 0.176334, 0.324651, 0.702682, 0.813501, 1.20459, 1.30625, 1.70347, 1.80356 elapsed time for k point: 0.000997781753540039 solve_kpoint (0.45,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58905458874505 (0.00704958% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58897895638373 (0.000714253% change) linmin: converged after 6 iterations. iteration 3: trace = 10.58897488550179 (3.84445e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58897478737543 (9.26684e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58897478401991 (3.16888e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58897478378886 (2.18198e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58897478377235 (1.55962e-10% change) linmin: converged after 2 iterations. switching to approximate line minimization (decrease time by 65.6805%) iteration 8: trace = 10.58897478377204 (2.91894e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 10, 0.45, 0, 0, 0.45, 0.189641, 0.31149, 0.722112, 0.793866, 1.22816, 1.28262, 1.72816, 1.77885 elapsed time for k point: 0.009207725524902344 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.58406017889885 (0.00705116% change) linmin: converged after 4 iterations. iteration 2: trace = 10.58398461985988 (0.000713897% change) linmin: converged after 4 iterations. iteration 3: trace = 10.58398056403726 (3.83204e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 10.58398046806651 (9.06755e-07% change) linmin: converged after 2 iterations. iteration 5: trace = 10.58398046509703 (2.80564e-08% change) linmin: converged after 2 iterations. iteration 6: trace = 10.58398046493152 (1.56375e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 10.58398046491724 (1.34939e-10% change) linmin: converged after 1 iterations. iteration 8: trace = 10.58398046491708 (1.51051e-12% change) Finished solving for bands 1 to 8 after 8 iterations. tmfreqs:, 11, 0.5, 0, 0, 0.5, 0.194775, 0.306403, 0.73165, 0.784262, 1.2441, 1.26666, 1.74884, 1.75817 .elapsed time for k point: 0.001005411148071289 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.19477466366820304 at Vector3<0.5, 0.0, 0.0> Band 2 range: 0.30640302623084414 at Vector3<0.5, 0.0, 0.0> to 0.46877485258675194 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5466257501316379 at Vector3<0.0, 0.0, 0.0> to 0.7316504426541639 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7842615905093814 at Vector3<0.5, 0.0, 0.0> to 0.9893486155437461 at Vector3<0.0, 0.0, 0.0> Band 5 range: 1.0240548648146843 at Vector3<0.0, 0.0, 0.0> to 1.244098004202587 at Vector3<0.5, 0.0, 0.0> Band 6 range: 1.2666566861855073 at Vector3<0.5, 0.0, 0.0> to 1.4970379696966398 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.5115800994652084 at Vector3<0.0, 0.0, 0.0> to 1.7488359039910488 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.7581683208483643 at Vector3<0.5, 0.0, 0.0> to 1.9999072006824996 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.19477466366820304) to band 2 (0.30640302623084414), 44.54642128428603% Gap from band 2 (0.46877485258675194) to band 3 (0.5466257501316379), 15.334026262436064% Gap from band 3 (0.7316504426541639) to band 4 (0.7842615905093814), 6.941187444158442% Gap from band 4 (0.9893486155437461) to band 5 (1.0240548648146843), 3.447520540171089% Gap from band 5 (1.244098004202587) to band 6 (1.2666566861855073), 1.7969642410133866% Gap from band 6 (1.4970379696966398) to band 7 (1.5115800994652084), 0.9666982936534588% Gap from band 7 (1.7488359039910488) to band 8 (1.7581683208483643), 0.532215889060857% total elapsed time for run: 0.03633236885070801 done /tmp/meepakjAzV/test_bragg_sine-0: 0.04s /tmp/meepakjAzV/test_compute_field_energy-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013802051544189453 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.17809200286865234 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4784812927246094 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.10454702377319336 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08401846885681152 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09705424308776855 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1557636260986328 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11970806121826172 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.105560302734375 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.09279751777648926 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08064961433410645 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08215188980102539 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.07102394104003906 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1274402141571045 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.20988011360168457 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1746678352355957 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.26380109786987305 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.4283299446105957 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 ./tmp/meepakjAzV/test_compute_field_energy-0: 2.48s /tmp/meepakjAzV/test_compute_group_velocity-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013480186462402344 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.23158788681030273 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5100226402282715 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.12947893142700195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1427321434020996 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.21703648567199707 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1720414161682129 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.12295961380004883 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09958314895629883 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08756804466247559 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08787298202514648 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08376049995422363 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.12842965126037598 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.15621280670166016 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.20474791526794434 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.24210619926452637 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.5305328369140625 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.1494157314300537 done /tmp/meepakjAzV/test_compute_group_velocity-0: 3.15s /tmp/meepakjAzV/test_compute_integrals-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013661384582519531 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.15787386894226074 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43328428268432617 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.12329769134521484 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.12310123443603516 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.19754385948181152 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.31261634826660156 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.23850655555725098 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.2013702392578125 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.17014241218566895 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08956646919250488 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08382701873779297 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.07568788528442383 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.12440347671508789 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.15784883499145508 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.21283912658691406 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.44932079315185547 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.153890371322632 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 H-energy-components:, 16, 8, 0, 0, 1 Fixing e-field (band 8) phase by 6.12323e-17 + -1i; max ampl. = 1.10099 ./tmp/meepakjAzV/test_compute_integrals-0: 3.16s /tmp/meepakjAzV/test_diamond-0 ======================== Initializing eigensolver data Computing 5 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 16 x 16 x 16. Solving for 5 bands at a time. Creating Maxwell data... Mesh size is 5. Lattice vectors: (0, 0.5, 0.5) (0.5, 0, 0.5) (0.5, 0.5, 0) Cell volume = 0.25 Reciprocal lattice vectors (/ 2 pi): (-1, 1, 1) (1, -1, 1) (1, 1, -1) Geometric objects: sphere, center = (0.125,0.125,0.125) radius 0.25 sphere, center = (-0.125,-0.125,-0.125) radius 0.25 Geometric object tree has depth 4 and 35 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 31 k-points Vector3<0.0, 0.5, 0.5> Vector3<0.0, 0.525, 0.475> Vector3<0.0, 0.55, 0.45> Vector3<0.0, 0.575, 0.425> Vector3<0.0, 0.6, 0.4> Vector3<0.0, 0.625, 0.375> Vector3<0.0, 0.6, 0.3> Vector3<0.0, 0.575, 0.225> Vector3<0.0, 0.55, 0.15000000000000002> Vector3<0.0, 0.525, 0.07500000000000001> Vector3<0.0, 0.5, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.3, 0.0> Vector3<0.0, 0.19999999999999996, 0.0> Vector3<0.0, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.1> Vector3<0.0, 0.2, 0.2> Vector3<0.0, 0.30000000000000004, 0.30000000000000004> Vector3<0.0, 0.4, 0.4> Vector3<0.0, 0.5, 0.5> Vector3<0.05, 0.55, 0.5> Vector3<0.1, 0.6, 0.5> Vector3<0.15000000000000002, 0.65, 0.5> Vector3<0.2, 0.7, 0.5> Vector3<0.25, 0.75, 0.5> Vector3<0.275, 0.75, 0.475> Vector3<0.3, 0.75, 0.45> Vector3<0.325, 0.75, 0.425> Vector3<0.35, 0.75, 0.4> Vector3<0.375, 0.75, 0.375> elapsed time for initialization: 0.0309600830078125 solve_kpoint (0,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5 Solving for bands 1 to 5... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 7.793809388876734 (194.671% change) linmin: converged after 8 iterations. iteration 2: trace = 1.602644292878233 (131.777% change) linmin: converged after 5 iterations. iteration 3: trace = 1.230444137489674 (26.2752% change) linmin: converged after 7 iterations. iteration 4: trace = 1.145863323821901 (7.11868% change) linmin: converged after 7 iterations. iteration 5: trace = 1.108732460474563 (3.29379% change) linmin: converged after 5 iterations. iteration 6: trace = 1.095242895867568 (1.22411% change) linmin: converged after 5 iterations. iteration 7: trace = 1.086567900224123 (0.795211% change) linmin: converged after 5 iterations. iteration 8: trace = 1.082571254980187 (0.368501% change) linmin: converged after 5 iterations. iteration 9: trace = 1.079681031773776 (0.267335% change) linmin: converged after 5 iterations. iteration 10: trace = 1.07784196185811 (0.17048% change) linmin: converged after 5 iterations. iteration 11: trace = 1.07658971866119 (0.116248% change) linmin: converged after 5 iterations. iteration 12: trace = 1.075741300120796 (0.0788372% change) linmin: converged after 5 iterations. iteration 13: trace = 1.075332005396717 (0.0380549% change) linmin: converged after 4 iterations. iteration 14: trace = 1.075088183570877 (0.0226767% change) linmin: converged after 4 iterations. iteration 15: trace = 1.074991682595675 (0.0089765% change) linmin: converged after 4 iterations. iteration 16: trace = 1.074947859516338 (0.00407668% change) linmin: converged after 4 iterations. iteration 17: trace = 1.074928276104173 (0.00182182% change) linmin: converged after 8 iterations. iteration 18: trace = 1.074920023198566 (0.000767766% change) linmin: converged after 5 iterations. iteration 19: trace = 1.074915815055662 (0.000391485% change) linmin: converged after 5 iterations. iteration 20: trace = 1.074913897245545 (0.000178415% change) linmin: converged after 5 iterations. iteration 21: trace = 1.074912797130558 (0.000102345% change) linmin: converged after 5 iterations. iteration 22: trace = 1.074912135440156 (6.15576e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.074911682476406 (4.21396e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.074911185373714 (4.62459e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.074910350283009 (7.76893e-05% change) large trace change predicted (0.000205026%) linmin: converged after 5 iterations. iteration 26: trace = 1.074908146483132 (0.000205022% change) large trace change predicted (0.000513652%) linmin: converged after 5 iterations. iteration 27: trace = 1.07490262826197 (0.000513368% change) linmin: converged after 5 iterations. iteration 28: trace = 1.074894274699342 (0.000777149% change) linmin: converged after 5 iterations. iteration 29: trace = 1.074885559310737 (0.000810817% change) linmin: converged after 6 iterations. iteration 30: trace = 1.074878751252922 (0.000633377% change) linmin: converged after 7 iterations. iteration 31: trace = 1.074871979340896 (0.000630018% change) linmin: converged after 6 iterations. iteration 32: trace = 1.074864290595143 (0.00071532% change) linmin: converged after 4 iterations. iteration 33: trace = 1.074857335705497 (0.00064705% change) linmin: converged after 4 iterations. iteration 34: trace = 1.074852611926326 (0.000439481% change) linmin: converged after 4 iterations. iteration 35: trace = 1.074850531090792 (0.000193593% change) linmin: converged after 4 iterations. iteration 36: trace = 1.074849707707753 (7.66045e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.074849401321547 (2.8505e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849273654745 (1.18776e-05% change) linmin: converged after 7 iterations. iteration 39: trace = 1.074849202666278 (6.6045e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074849166432867 (3.37102e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 1.074849150238921 (1.50662e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 1.074849143715029 (6.06959e-07% change) linmin: converged after 3 iterations. iteration 43: trace = 1.074849140933313 (2.58801e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 1.074849139366316 (1.45788e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.074849138485003 (8.19942e-08% change) linmin: converged after 4 iterations. iteration 46: trace = 1.074849138034085 (4.19517e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 1.074849137805405 (2.12755e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 1.074849137683515 (1.13402e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 1.074849137606227 (7.19065e-09% change) linmin: converged after 2 iterations. iteration 50: trace = 1.074849137561233 (4.18604e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.074849137540571 (1.92229e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.074849137533237 (6.82361e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.074849137531041 (2.04289e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 1.074849137530269 (7.18493e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 1, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.9177517890930176 solve_kpoint (0,0.525,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.075858895003848 (0.603183% change) linmin: converged after 5 iterations. iteration 2: trace = 1.073482649228938 (0.221114% change) linmin: converged after 4 iterations. iteration 3: trace = 1.072517250925701 (0.0899719% change) linmin: converged after 4 iterations. iteration 4: trace = 1.07226731835112 (0.0233061% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072198684379732 (0.00640103% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072184614555412 (0.00131225% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072176813446787 (0.000727593% change) linmin: converged after 6 iterations. iteration 8: trace = 1.072174588825062 (0.000207487% change) linmin: converged after 5 iterations. iteration 9: trace = 1.072173275829781 (0.000122461% change) linmin: converged after 5 iterations. iteration 10: trace = 1.072172792730832 (4.50579e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072172507137298 (2.66369e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.072172093455102 (3.85836e-05% change) linmin: converged after 13 iterations. iteration 13: trace = 1.072171277805736 (7.60745e-05% change) large trace change predicted (0.000180553%) linmin: converged after 5 iterations. iteration 14: trace = 1.072169342022187 (0.000180548% change) linmin: converged after 16 iterations. iteration 15: trace = 1.072167408079079 (0.000180377% change) linmin: converged after 6 iterations. iteration 16: trace = 1.072166456174473 (8.87832e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.072165970166683 (4.53295e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072165682214035 (2.68571e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.072165408274992 (2.55501e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.072165207652325 (1.87119e-05% change) linmin: converged after 6 iterations. iteration 21: trace = 1.07216510367804 (9.6976e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.072165061729352 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.072165050577685 (1.04011e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.072165047945189 (2.45531e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.072165047308095 (5.94212e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.072165047160103 (1.38031e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.072165047103967 (5.2358e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.07216504707559 (2.64669e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.072165047058603 (1.58435e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 1.072165047048055 (9.83784e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 1.072165047042511 (5.17065e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 1.072165047039758 (2.56782e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 1.07216504703864 (1.04254e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 1.072165047038117 (4.88547e-11% change) Finished solving for bands 1 to 5 after 34 iterations. freqs:, 2, 0, 0.525, 0.475, 1.0025, 0.380386, 0.382168, 0.495624, 0.497176, 0.537208 elapsed time for k point: 0.5256273746490479 solve_kpoint (0,0.55,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.068440466045205 (0.573523% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066480807479963 (0.183581% change) linmin: converged after 4 iterations. iteration 3: trace = 1.065774667547763 (0.0662341% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065585967274126 (0.017707% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065530753732716 (0.00518165% change) linmin: converged after 4 iterations. iteration 6: trace = 1.065516120758966 (0.00137331% change) linmin: converged after 5 iterations. iteration 7: trace = 1.065506870654358 (0.000868137% change) linmin: converged after 3 iterations. iteration 8: trace = 1.065504384713838 (0.000233311% change) linmin: converged after 18 iterations. iteration 9: trace = 1.065503073473254 (0.000123063% change) linmin: converged after 2 iterations. iteration 10: trace = 1.065502572123757 (4.70529e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 1.065502157725804 (3.88923e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.06550155124787 (5.69195e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.065500878596151 (6.31301e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.065500247906648 (5.91919e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.065499909234968 (3.17852e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.065499690826473 (2.04982e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 1.065499506928749 (1.72593e-05% change) linmin: converged after 20 iterations. iteration 18: trace = 1.065499383728922 (1.15626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.065499315698634 (6.38483e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.065499294220984 (2.01574e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.065499288548681 (5.32361e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.065499287022425 (1.43243e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.065499286677926 (3.23321e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.065499286595517 (7.73437e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.065499286570307 (2.36595e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.065499286559613 (1.00371e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 1.065499286551562 (7.5564e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.065499286546965 (4.31377e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.0654992865453 (1.56254e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.06549928654484 (4.31794e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 3, 0, 0.55, 0.45, 1.00995, 0.380966, 0.38483, 0.496711, 0.498342, 0.526501 elapsed time for k point: 0.2451179027557373 solve_kpoint (0,0.575,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.059540504499355 (0.530657% change) linmin: converged after 4 iterations. iteration 2: trace = 1.05798354916432 (0.147054% change) linmin: converged after 4 iterations. iteration 3: trace = 1.057502090064032 (0.0455176% change) linmin: converged after 4 iterations. iteration 4: trace = 1.057358559154869 (0.0135736% change) linmin: converged after 4 iterations. iteration 5: trace = 1.057314691601922 (0.00414887% change) linmin: converged after 4 iterations. iteration 6: trace = 1.057300876214259 (0.00130666% change) linmin: converged after 5 iterations. iteration 7: trace = 1.057292723699835 (0.000771072% change) linmin: converged after 4 iterations. iteration 8: trace = 1.057291059110143 (0.000157439% change) linmin: converged after 3 iterations. iteration 9: trace = 1.057290409951241 (6.13983e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.057290221445181 (1.78292e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.057290112028999 (1.03487e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 1.057289958936161 (1.44797e-05% change) linmin: converged after 16 iterations. iteration 13: trace = 1.057289789269395 (1.60473e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057289654908358 (1.27081e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.05728960466552 (4.75204e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.057289590705038 (1.3204e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.057289585702304 (4.73166e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057289583780866 (1.81732e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.057289582678028 (1.04308e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.057289582066726 (5.78179e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.05728958183277 (2.21279e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.057289581749869 (7.8409e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 1.057289581718886 (2.93044e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.057289581697566 (2.01644e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057289581676837 (1.96064e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057289581662593 (1.34719e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057289581656746 (5.52964e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.057289581655314 (1.355e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.057289581654965 (3.30141e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 4, 0, 0.575, 0.425, 1.02225, 0.381461, 0.388864, 0.498536, 0.500287, 0.511601 elapsed time for k point: 0.22890973091125488 solve_kpoint (0,0.6,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051100648814141 (0.506611% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049691285821747 (0.134174% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049314899107921 (0.0358633% change) linmin: converged after 4 iterations. iteration 4: trace = 1.049185433172377 (0.0123389% change) linmin: converged after 4 iterations. iteration 5: trace = 1.049147911038267 (0.00357637% change) linmin: converged after 4 iterations. iteration 6: trace = 1.049135854260348 (0.0011492% change) linmin: converged after 5 iterations. iteration 7: trace = 1.049129471311554 (0.000608402% change) linmin: converged after 3 iterations. iteration 8: trace = 1.049128247387994 (0.000116661% change) linmin: converged after 2 iterations. iteration 9: trace = 1.04912779156954 (4.34474e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.049127676630066 (1.09557e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 1.049127634485117 (4.01714e-06% change) linmin: converged after 26 iterations. iteration 12: trace = 1.04912759548366 (3.71751e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 1.049127554116296 (3.94303e-06% change) linmin: converged after 22 iterations. iteration 14: trace = 1.049127517065815 (3.53155e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.049127502744468 (1.36507e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.049127499460315 (3.13037e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.049127498551341 (8.66409e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 1.049127498234713 (3.01801e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 1.049127497940215 (2.80708e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 1.049127497468462 (4.49663e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.049127497017252 (4.30081e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 1.049127496798793 (2.0823e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.049127496735693 (6.01448e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 1.049127496715387 (1.93557e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.049127496707381 (7.63051e-10% change) linmin: converged after 2 iterations. iteration 26: trace = 1.049127496704079 (3.14782e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 1.049127496702446 (1.55666e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.049127496701628 (7.79284e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 5, 0, 0.6, 0.4, 1.03923, 0.381077, 0.393446, 0.49495, 0.501109, 0.503014 elapsed time for k point: 0.3745107650756836 solve_kpoint (0,0.625,0.375): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043459216722463 (0.506828% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041988342828767 (0.141061% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041637917013636 (0.0336361% change) linmin: converged after 4 iterations. iteration 4: trace = 1.04150010817998 (0.0132309% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041466538801386 (0.00322323% change) linmin: converged after 4 iterations. iteration 6: trace = 1.041456832909056 (0.000931949% change) linmin: converged after 5 iterations. iteration 7: trace = 1.04145212968613 (0.000451601% change) linmin: converged after 4 iterations. iteration 8: trace = 1.041451113409441 (9.75827e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.041450688275374 (4.08213e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 1.041450583335705 (1.00763e-05% change) linmin: converged after 15 iterations. iteration 11: trace = 1.04145055102366 (3.1026e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 1.041450527028424 (2.30402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 1.041450494527918 (3.1207e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 1.04145043539497 (5.67794e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 1.041450384495773 (4.88734e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.041450353324324 (2.99308e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.041450318415118 (3.35198e-06% change) linmin: converged after 23 iterations. iteration 18: trace = 1.041450255970096 (5.99597e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.041450142733959 (1.08729e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.041450060666096 (7.88015e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 1.041450032793385 (2.67634e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.041450025149674 (7.33949e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.041450023239037 (1.83459e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04145002251745 (6.92867e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.041450022090024 (4.10414e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.04145002159701 (4.73392e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.041450020726602 (8.35766e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.041450019065773 (1.59473e-07% change) large trace change predicted (4.189e-07%) linmin: converged after 2 iterations. iteration 29: trace = 1.04145001470314 (4.189e-07% change) large trace change predicted (1.19651e-06%) linmin: converged after 16 iterations. iteration 30: trace = 1.041450002242192 (1.1965e-06% change) large trace change predicted (3.27802e-06%) linmin: converged after 3 iterations. iteration 31: trace = 1.04144996810502 (3.27785e-06% change) large trace change predicted (7.60992e-06%) linmin: converged after 3 iterations. iteration 32: trace = 1.041449888872006 (7.60795e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 1.041449762143182 (1.21685e-05% change) linmin: converged after 8 iterations. iteration 34: trace = 1.041449617733145 (1.38663e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.041449518800372 (9.49953e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 1.041449483215252 (3.41688e-06% change) linmin: converged after 7 iterations. iteration 37: trace = 1.041449473025162 (9.78453e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 1.041449470385734 (2.53438e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 1.041449469588867 (7.65151e-08% change) linmin: converged after 20 iterations. iteration 40: trace = 1.041449469287295 (2.8957e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 1.041449469189142 (9.42459e-09% change) linmin: converged after 10 iterations. iteration 42: trace = 1.041449469160062 (2.79229e-09% change) linmin: converged after 4 iterations. iteration 43: trace = 1.04144946915253 (7.23263e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 1.04144946915032 (2.12205e-10% change) linmin: converged after 2 iterations. iteration 45: trace = 1.041449469149446 (8.38971e-11% change) Finished solving for bands 1 to 5 after 45 iterations. freqs:, 6, 0, 0.625, 0.375, 1.06066, 0.378621, 0.396729, 0.479263, 0.504432, 0.506514 elapsed time for k point: 0.5942425727844238 Fixing d-field (band 1) phase by 0.997721 + 0.0674729i; max ampl. = 12.9762 D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Outputting /tmp/meepakjAzV/test_diamond-0-dpwr.k06.b01.h5... D-energy-components:, 6, 1, 0.0477669, 0.476092, 0.476141 Fixing d-field (band 2) phase by 0.997721 + 0.0674729i; max ampl. = 12.1515 D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Outputting /tmp/meepakjAzV/test_diamond-0-dpwr.k06.b02.h5... D-energy-components:, 6, 2, 0.232067, 0.383937, 0.383996 Fixing d-field (band 3) phase by 0.0674729 + -0.997721i; max ampl. = 13.3616 D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Outputting /tmp/meepakjAzV/test_diamond-0-dpwr.k06.b03.h5... D-energy-components:, 6, 3, 0.736337, 0.13197, 0.131693 Fixing d-field (band 4) phase by 0.997721 + 0.0674729i; max ampl. = 7.97915 D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Outputting /tmp/meepakjAzV/test_diamond-0-dpwr.k06.b04.h5... D-energy-components:, 6, 4, 0.11714, 0.441055, 0.441805 Fixing d-field (band 5) phase by -0.997721 + -0.0674729i; max ampl. = 12.8979 D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 Outputting /tmp/meepakjAzV/test_diamond-0-dpwr.k06.b05.h5... D-energy-components:, 6, 5, 0.238579, 0.435374, 0.326046 solve_kpoint (0,0.6,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.039665448918141 (2.28714% change) linmin: converged after 5 iterations. iteration 2: trace = 1.03126174447369 (0.811589% change) linmin: converged after 5 iterations. iteration 3: trace = 1.027058258259599 (0.408439% change) linmin: converged after 5 iterations. iteration 4: trace = 1.020314522193447 (0.65877% change) linmin: converged after 4 iterations. iteration 5: trace = 1.016895452943936 (0.335662% change) linmin: converged after 4 iterations. iteration 6: trace = 1.013850701572565 (0.299865% change) linmin: converged after 4 iterations. iteration 7: trace = 1.012826541833987 (0.101068% change) linmin: converged after 3 iterations. iteration 8: trace = 1.012456630988233 (0.0365293% change) linmin: converged after 3 iterations. iteration 9: trace = 1.012302653572539 (0.0152095% change) linmin: converged after 3 iterations. iteration 10: trace = 1.012263470101499 (0.0038708% change) linmin: converged after 4 iterations. iteration 11: trace = 1.012248751191856 (0.00145407% change) linmin: converged after 4 iterations. iteration 12: trace = 1.012243323298405 (0.000536223% change) linmin: converged after 6 iterations. iteration 13: trace = 1.012239242815871 (0.000403114% change) linmin: converged after 4 iterations. iteration 14: trace = 1.012234289032094 (0.00048939% change) linmin: converged after 5 iterations. iteration 15: trace = 1.012226176757293 (0.000801426% change) linmin: converged after 5 iterations. iteration 16: trace = 1.012212339553813 (0.00136702% change) linmin: converged after 7 iterations. iteration 17: trace = 1.012198494702927 (0.00136779% change) linmin: converged after 6 iterations. iteration 18: trace = 1.012188204927564 (0.00101658% change) linmin: converged after 5 iterations. iteration 19: trace = 1.012182979177564 (0.000516284% change) linmin: converged after 5 iterations. iteration 20: trace = 1.012180431891034 (0.000251663% change) linmin: converged after 4 iterations. iteration 21: trace = 1.012179050266534 (0.0001365% change) linmin: converged after 5 iterations. iteration 22: trace = 1.012178436832588 (6.06053e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.012178138308118 (2.94933e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 1.012178008609885 (1.28138e-05% change) linmin: converged after 3 iterations. iteration 25: trace = 1.012177948013927 (5.98669e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 1.012177914414934 (3.31947e-06% change) linmin: converged after 3 iterations. iteration 27: trace = 1.012177899398552 (1.48357e-06% change) linmin: converged after 6 iterations. iteration 28: trace = 1.012177891703032 (7.60293e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.012177888011668 (3.64695e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 1.012177886482547 (1.51072e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.012177885943443 (5.32618e-08% change) linmin: converged after 2 iterations. iteration 32: trace = 1.012177885797334 (1.44352e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 1.012177885757129 (3.97212e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.012177885742624 (1.43305e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 1.01217788573651 (6.04e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 1.012177885733493 (2.98062e-10% change) linmin: converged after 2 iterations. iteration 37: trace = 1.012177885731931 (1.54285e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 1.01217788573071 (1.20677e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.012177885728822 (1.86489e-10% change) large trace change predicted (3.79806e-10%) linmin: converged after 3 iterations. iteration 40: trace = 1.012177885724983 (3.7934e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.012177885719431 (5.48542e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 1.012177885715906 (3.48233e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 1.012177885714417 (1.47068e-10% change) linmin: converged after 6 iterations. iteration 44: trace = 1.012177885713607 (8.00492e-11% change) Finished solving for bands 1 to 5 after 44 iterations. freqs:, 7, 0, 0.6, 0.3, 0.994987, 0.369582, 0.388559, 0.467091, 0.487657, 0.518291 elapsed time for k point: 0.34984397888183594 solve_kpoint (0,0.575,0.225): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9915573055188105 (2.26017% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9866607516796273 (0.495047% change) linmin: converged after 4 iterations. iteration 3: trace = 0.985915134572086 (0.0755983% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9856473004079666 (0.0271697% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9855722861007572 (0.00761095% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9855592500247952 (0.0013227% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9855531508569249 (0.000618855% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9855520633527013 (0.000110345% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9855516310521106 (4.38638e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.9855514450622063 (1.88717e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.9855513230133151 (1.23838e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9855511986808408 (1.26155e-05% change) linmin: converged after 14 iterations. iteration 13: trace = 0.9855510508800431 (1.49968e-05% change) large trace change predicted (3.62683e-05%) linmin: converged after 4 iterations. iteration 14: trace = 0.9855506934425549 (3.62678e-05% change) large trace change predicted (0.000117862%) linmin: converged after 3 iterations. iteration 15: trace = 0.9855495321097341 (0.000117836% change) large trace change predicted (0.00166434%) linmin: converged after 7 iterations. iteration 16: trace = 0.9855348565844813 (0.00148908% change) near maximum in trace linmin: converged after 10 iterations. iteration 17: trace = 0.9854855136907122 (0.00500684% change) linmin: converged after 6 iterations. iteration 18: trace = 0.9854692412137787 (0.00165123% change) linmin: converged after 4 iterations. iteration 19: trace = 0.9854542312192751 (0.00152314% change) linmin: converged after 5 iterations. iteration 20: trace = 0.9854392662898253 (0.00151859% change) linmin: converged after 4 iterations. iteration 21: trace = 0.9854239738374098 (0.00155185% change) linmin: converged after 5 iterations. iteration 22: trace = 0.9854083703854308 (0.00158344% change) linmin: converged after 7 iterations. iteration 23: trace = 0.9853925763868612 (0.0016028% change) linmin: converged after 6 iterations. iteration 24: trace = 0.9853765755222155 (0.00162382% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9853601724904575 (0.00166466% change) linmin: converged after 6 iterations. iteration 26: trace = 0.9853431529185689 (0.00172726% change) linmin: converged after 6 iterations. iteration 27: trace = 0.9853255062152675 (0.00179094% change) linmin: converged after 4 iterations. iteration 28: trace = 0.9853075669332334 (0.00182066% change) linmin: converged after 4 iterations. iteration 29: trace = 0.9852899530731823 (0.00178767% change) linmin: converged after 4 iterations. iteration 30: trace = 0.9852733064681282 (0.00168953% change) linmin: converged after 4 iterations. iteration 31: trace = 0.9852580378801779 (0.00154969% change) linmin: converged after 4 iterations. iteration 32: trace = 0.9852442584665031 (0.00139857% change) linmin: converged after 4 iterations. iteration 33: trace = 0.9852318665432616 (0.00125776% change) linmin: converged after 4 iterations. iteration 34: trace = 0.9852206658413795 (0.00113687% change) linmin: converged after 4 iterations. iteration 35: trace = 0.9852104475657839 (0.00103716% change) linmin: converged after 4 iterations. iteration 36: trace = 0.985201030587406 (0.000955839% change) linmin: converged after 4 iterations. iteration 37: trace = 0.9851922745104321 (0.000888764% change) linmin: converged after 6 iterations. iteration 38: trace = 0.985184078898952 (0.000831883% change) linmin: converged after 4 iterations. iteration 39: trace = 0.9851763765317376 (0.000781823% change) linmin: converged after 5 iterations. iteration 40: trace = 0.9851691247369359 (0.000736094% change) linmin: converged after 4 iterations. iteration 41: trace = 0.9851622968634405 (0.000693069% change) linmin: converged after 5 iterations. iteration 42: trace = 0.9851558749686684 (0.000651864% change) linmin: converged after 4 iterations. iteration 43: trace = 0.9851498442474425 (0.000612161% change) linmin: converged after 5 iterations. iteration 44: trace = 0.9851441893299313 (0.000574018% change) linmin: converged after 7 iterations. iteration 45: trace = 0.9851388922795947 (0.000537694% change) linmin: converged after 5 iterations. iteration 46: trace = 0.9851339319745713 (0.000503515% change) linmin: converged after 6 iterations. iteration 47: trace = 0.9851292842174566 (0.00047179% change) linmin: converged after 6 iterations. iteration 48: trace = 0.9851249227544374 (0.000442731% change) linmin: converged after 5 iterations. iteration 49: trace = 0.9851208201354336 (0.000416458% change) linmin: converged after 6 iterations. iteration 50: trace = 0.985116948670044 (0.000392995% change) linmin: converged after 6 iterations. iteration 51: trace = 0.9851132814158994 (0.000372267% change) linmin: converged after 4 iterations. iteration 52: trace = 0.985109792752574 (0.000354139% change) linmin: converged after 6 iterations. iteration 53: trace = 0.9851064589339564 (0.000338422% change) linmin: converged after 4 iterations. iteration 54: trace = 0.985103258433947 (0.000324889% change) linmin: converged after 5 iterations. iteration 55: trace = 0.9851001721178921 (0.000313299% change) linmin: converged after 6 iterations. iteration 56: trace = 0.9850971833422346 (0.000303399% change) linmin: converged after 6 iterations. iteration 57: trace = 0.9850942779612889 (0.000294934% change) linmin: converged after 5 iterations. iteration 58: trace = 0.9850914442739287 (0.000287657% change) linmin: converged after 6 iterations. iteration 59: trace = 0.9850886728973864 (0.000281332% change) linmin: converged after 8 iterations. iteration 60: trace = 0.9850859566438679 (0.000275737% change) linmin: converged after 3 iterations. iteration 61: trace = 0.985083290302922 (0.000270671% change) linmin: converged after 5 iterations. iteration 62: trace = 0.9850806704322035 (0.000265955% change) linmin: converged after 6 iterations. iteration 63: trace = 0.9850780951153988 (0.000261432% change) linmin: converged after 5 iterations. iteration 64: trace = 0.9850755636853383 (0.000256978% change) linmin: converged after 7 iterations. iteration 65: trace = 0.9850730764535367 (0.000252492% change) linmin: converged after 6 iterations. iteration 66: trace = 0.9850706344229587 (0.000247904% change) linmin: converged after 5 iterations. iteration 67: trace = 0.9850682390428733 (0.000243169% change) linmin: converged after 5 iterations. iteration 68: trace = 0.9850658919478763 (0.000238268% change) linmin: converged after 6 iterations. iteration 69: trace = 0.9850635947572814 (0.000233202% change) resetting CG direction... large trace change predicted (0.0412898%) linmin: converged after 4 iterations. iteration 70: trace = 0.9846563226321232 (0.0413533% change) linmin: converged after 4 iterations. iteration 71: trace = 0.9844601744110943 (0.0199225% change) linmin: converged after 4 iterations. iteration 72: trace = 0.9843700908035093 (0.00915098% change) linmin: converged after 5 iterations. iteration 73: trace = 0.9843454544632328 (0.00250278% change) linmin: converged after 5 iterations. iteration 74: trace = 0.9843309741800621 (0.00147107% change) linmin: converged after 3 iterations. iteration 75: trace = 0.9843269360335394 (0.000410244% change) linmin: converged after 3 iterations. iteration 76: trace = 0.984325925508553 (0.000102662% change) linmin: converged after 3 iterations. iteration 77: trace = 0.9843252602722731 (6.7583e-05% change) linmin: converged after 9 iterations. iteration 78: trace = 0.9843249585532741 (3.06524e-05% change) linmin: converged after 4 iterations. iteration 79: trace = 0.984324827002671 (1.33646e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 0.9843247642174826 (6.3785e-06% change) linmin: converged after 21 iterations. iteration 81: trace = 0.9843247334142549 (3.12938e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 0.9843247239633147 (9.60145e-07% change) linmin: converged after 4 iterations. iteration 83: trace = 0.9843247200132017 (4.01302e-07% change) linmin: converged after 4 iterations. iteration 84: trace = 0.9843247177623149 (2.28673e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 0.9843247140412077 (3.78037e-07% change) large trace change predicted (8.17026e-07%) linmin: converged after 4 iterations. iteration 86: trace = 0.9843247059989855 (8.17029e-07% change) large trace change predicted (1.83753e-06%) linmin: converged after 4 iterations. iteration 87: trace = 0.9843246879119369 (1.83751e-06% change) linmin: converged after 3 iterations. iteration 88: trace = 0.9843246566951747 (3.17139e-06% change) linmin: converged after 15 iterations. iteration 89: trace = 0.9843246205606317 (3.671e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 0.9843246064917273 (1.4293e-06% change) linmin: converged after 5 iterations. iteration 91: trace = 0.9843246017421499 (4.82521e-07% change) linmin: converged after 3 iterations. iteration 92: trace = 0.9843246002813074 (1.48411e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 0.9843245999240422 (3.62955e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 0.9843245998040482 (1.21905e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 0.9843245997561223 (4.86891e-09% change) linmin: converged after 3 iterations. iteration 96: trace = 0.9843245997430943 (1.32355e-09% change) linmin: converged after 4 iterations. iteration 97: trace = 0.9843245997404594 (2.67685e-10% change) linmin: converged after 5 iterations. iteration 98: trace = 0.9843245997396673 (8.04646e-11% change) Finished solving for bands 1 to 5 after 98 iterations. freqs:, 8, 0, 0.575, 0.225, 0.940744, 0.356415, 0.3702, 0.457212, 0.470085, 0.538723 elapsed time for k point: 1.0803945064544678 solve_kpoint (0,0.55,0.15): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9646769163082063 (2.39738% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9596027655498416 (0.527382% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9585165712859467 (0.113256% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9579432893176263 (0.0598272% change) linmin: converged after 4 iterations. iteration 5: trace = 0.957753478271237 (0.0198164% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9577044743110649 (0.00511668% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9576786087113478 (0.00270083% change) linmin: converged after 4 iterations. iteration 8: trace = 0.9576698781006379 (0.000911647% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9576629132448566 (0.000727274% change) linmin: converged after 6 iterations. iteration 10: trace = 0.9576596029412843 (0.000345665% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9576578418244525 (0.000183898% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9576568119851189 (0.000107537% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9576563729712588 (4.58425e-05% change) linmin: converged after 19 iterations. iteration 14: trace = 0.9576561629432221 (2.19315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9576560823100085 (8.41985e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9576560023094209 (8.35379e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.9576558845381139 (1.22979e-05% change) linmin: converged after 4 iterations. iteration 18: trace = 0.9576557606446515 (1.29372e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 0.9576556898706394 (7.39034e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9576556668427911 (2.40461e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9576556603473727 (6.78262e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.957655658603465 (1.82102e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9576556582296492 (3.90345e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 0.9576556581384016 (9.52822e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 0.9576556581169053 (2.24467e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.9576556581121123 (5.00499e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.9576556581107218 (1.45192e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.9576556581103823 (3.54518e-11% change) Finished solving for bands 1 to 5 after 28 iterations. freqs:, 9, 0, 0.55, 0.15, 0.9, 0.344555, 0.351994, 0.449598, 0.455588, 0.552575 elapsed time for k point: 0.3199954032897949 solve_kpoint (0,0.525,0.075): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 0.9479336872150527 (2.3896% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9430867597778365 (0.512626% change) linmin: converged after 4 iterations. iteration 3: trace = 0.941981873965237 (0.117225% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9413709083882282 (0.0648806% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9411784896544571 (0.0204424% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9411437673764198 (0.0036893% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9411282197691544 (0.001652% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9411228844482352 (0.000566909% change) linmin: converged after 7 iterations. iteration 9: trace = 0.941117722411677 (0.000548499% change) linmin: converged after 4 iterations. iteration 10: trace = 0.9411142194231239 (0.000372216% change) linmin: converged after 6 iterations. iteration 11: trace = 0.9411125302492718 (0.000179487% change) linmin: converged after 5 iterations. iteration 12: trace = 0.9411116700164435 (9.1406e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9411114151351252 (2.7083e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.941111312557934 (1.08996e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9411112840457978 (3.02962e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9411112731925684 (1.15324e-06% change) linmin: converged after 26 iterations. iteration 17: trace = 0.9411112675855979 (5.95782e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 0.9411112644312605 (3.35172e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9411112620729626 (2.50587e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9411112600571808 (2.14192e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9411112586302771 (1.51619e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9411112579896637 (6.80699e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.941111257817919 (1.82491e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9411112577748142 (4.58021e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.9411112577644222 (1.10423e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.941111257762292 (2.26348e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 0.9411112577617193 (6.08486e-11% change) Finished solving for bands 1 to 5 after 27 iterations. freqs:, 10, 0, 0.525, 0.075, 0.874643, 0.336533, 0.339294, 0.444662, 0.446211, 0.562057 elapsed time for k point: 0.33028364181518555 solve_kpoint (0,0.5,0): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 0.9431496225335785 (2.3985% change) linmin: converged after 5 iterations. iteration 2: trace = 0.9380796204968544 (0.539009% change) linmin: converged after 4 iterations. iteration 3: trace = 0.9367721035397323 (0.13948% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9359917825716043 (0.0833336% change) linmin: converged after 4 iterations. iteration 5: trace = 0.9357711657243539 (0.0235732% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9357390464145803 (0.00343245% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9357282065214862 (0.00115844% change) linmin: converged after 4 iterations. iteration 8: trace = 0.935726090656777 (0.00022612% change) linmin: converged after 5 iterations. iteration 9: trace = 0.9357251462394749 (0.000100929% change) linmin: converged after 2 iterations. iteration 10: trace = 0.9357245153926679 (6.7418e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 0.935724118685711 (4.23957e-05% change) linmin: converged after 17 iterations. iteration 12: trace = 0.9357237683382605 (3.74413e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 0.9357236170895014 (1.61638e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9357235495974339 (7.21282e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9357235309444131 (1.99343e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9357235256266005 (5.6831e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9357235236195143 (2.14496e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9357235229374928 (7.28871e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9357235227208449 (2.3153e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9357235226594707 (6.55901e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 0.9357235226426122 (1.80166e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9357235226371357 (5.8527e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.9357235226350287 (2.25171e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9357235226340201 (1.0778e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 0.9357235226332373 (8.36591e-11% change) Finished solving for bands 1 to 5 after 25 iterations. freqs:, 11, 0, 0.5, 0, 0.866025, 0.333545, 0.334937, 0.442371, 0.443555, 0.565558 elapsed time for k point: 0.3793156147003174 solve_kpoint (0,0.4,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9531656172626821 (2.95521% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9465651869298922 (0.694881% change) linmin: converged after 3 iterations. iteration 3: trace = 0.9460975825933921 (0.0494123% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9458503027170811 (0.0261402% change) linmin: converged after 3 iterations. iteration 5: trace = 0.9458090123516516 (0.00436552% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9457956329513351 (0.00141461% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9457917144910897 (0.000414304% change) linmin: converged after 3 iterations. iteration 8: trace = 0.9457908288630771 (9.36388e-05% change) linmin: converged after 6 iterations. iteration 9: trace = 0.9457904833985004 (3.65265e-05% change) linmin: converged after 8 iterations. iteration 10: trace = 0.9457903738934191 (1.15782e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 0.9457903287956915 (4.76826e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 0.9457903098667371 (2.00139e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.945790300833286 (9.55122e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 0.9457902938373184 (7.39695e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9457902889826169 (5.13296e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.9457902856358911 (3.53855e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9457902842649593 (1.44951e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9457902838788874 (4.082e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9457902837821091 (1.02325e-08% change) linmin: converged after 6 iterations. iteration 20: trace = 0.9457902837614061 (2.18896e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9457902837571451 (4.50515e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 0.9457902837561455 (1.05694e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 0.945790283755921 (2.37354e-11% change) Finished solving for bands 1 to 5 after 23 iterations. freqs:, 12, 0, 0.4, 0, 0.69282, 0.299948, 0.301256, 0.47018, 0.471285, 0.567351 elapsed time for k point: 0.21143746376037598 solve_kpoint (0,0.3,0): Solving for bands 1 to 5... linmin: converged after 6 iterations. iteration 1: trace = 0.9838330564819231 (2.82864% change) linmin: converged after 4 iterations. iteration 2: trace = 0.9767698261618407 (0.720516% change) linmin: converged after 3 iterations. iteration 3: trace = 0.975990834248063 (0.0797837% change) linmin: converged after 4 iterations. iteration 4: trace = 0.9754521141782281 (0.0552125% change) linmin: converged after 4 iterations. iteration 5: trace = 0.975343923966862 (0.0110919% change) linmin: converged after 4 iterations. iteration 6: trace = 0.9752879087036856 (0.00574329% change) linmin: converged after 4 iterations. iteration 7: trace = 0.9752720379978688 (0.0016273% change) linmin: converged after 5 iterations. iteration 8: trace = 0.9752675452795285 (0.000460664% change) linmin: converged after 4 iterations. iteration 9: trace = 0.9752661173620061 (0.000146413% change) linmin: converged after 3 iterations. iteration 10: trace = 0.9752657982804043 (3.27174e-05% change) linmin: converged after 8 iterations. iteration 11: trace = 0.9752656737712461 (1.27667e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.975265598656986 (7.70193e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 0.9752655199382996 (8.07151e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 0.975265458605133 (6.28887e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.9752654363667408 (2.28024e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 0.9752654288851366 (7.67135e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 0.9752654270617361 (1.86965e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 0.9752654266193436 (4.53612e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 0.9752654264923916 (1.30172e-08% change) linmin: converged after 2 iterations. iteration 20: trace = 0.9752654264573508 (3.59294e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 0.9752654264468741 (1.07424e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 0.9752654264434993 (3.46033e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 0.9752654264424245 (1.10207e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 0.9752654264419814 (4.54328e-11% change) Finished solving for bands 1 to 5 after 24 iterations. freqs:, 13, 0, 0.3, 0, 0.519615, 0.235132, 0.236238, 0.517406, 0.518221, 0.572633 elapsed time for k point: 0.20559310913085938 solve_kpoint (0,0.2,0): Solving for bands 1 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.031310457525339 (2.74381% change) linmin: converged after 4 iterations. iteration 2: trace = 1.023001395901209 (0.808939% change) linmin: converged after 4 iterations. iteration 3: trace = 1.020944596104372 (0.201258% change) linmin: converged after 5 iterations. iteration 4: trace = 1.019196682336968 (0.171352% change) linmin: converged after 4 iterations. iteration 5: trace = 1.018718077778314 (0.04697% change) linmin: converged after 3 iterations. iteration 6: trace = 1.018308274746612 (0.0402354% change) linmin: converged after 4 iterations. iteration 7: trace = 1.018176585208324 (0.012933% change) linmin: converged after 4 iterations. iteration 8: trace = 1.018122381585613 (0.00532374% change) linmin: converged after 3 iterations. iteration 9: trace = 1.018108141501955 (0.00139867% change) linmin: converged after 3 iterations. iteration 10: trace = 1.01810468837719 (0.000339171% change) linmin: converged after 4 iterations. iteration 11: trace = 1.018103724639192 (9.46601e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 1.018103471304881 (2.4883e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.018103337799628 (1.31131e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.018103254441739 (8.18757e-06% change) linmin: converged after 17 iterations. iteration 15: trace = 1.018103204661031 (4.88955e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 1.018103175566654 (2.8577e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.018103161363209 (1.39509e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 1.018103152357129 (8.84594e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 1.018103147246914 (5.01935e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.018103144530303 (2.66831e-07% change) linmin: converged after 8 iterations. iteration 21: trace = 1.018103143433503 (1.0773e-07% change) linmin: converged after 16 iterations. iteration 22: trace = 1.018103143020116 (4.06036e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 1.018103142868816 (1.4861e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.018103142826693 (4.13738e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.018103142813693 (1.27687e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.018103142809127 (4.48537e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.018103142807081 (2.00889e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 1.018103142806048 (1.01546e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 1.018103142805607 (4.32485e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 14, 0, 0.2, 0, 0.34641, 0.160616, 0.161417, 0.560554, 0.560855, 0.580923 elapsed time for k point: 0.24800395965576172 solve_kpoint (0,0.1,0): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.077079219748294 (2.88237% change) linmin: converged after 5 iterations. iteration 2: trace = 1.066262027914489 (1.00938% change) linmin: converged after 7 iterations. iteration 3: trace = 1.059824264961903 (0.605598% change) linmin: converged after 5 iterations. iteration 4: trace = 1.056454446691333 (0.318466% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055117395208793 (0.12664% change) linmin: converged after 7 iterations. iteration 6: trace = 1.053973327355148 (0.108489% change) linmin: converged after 4 iterations. iteration 7: trace = 1.053442526128483 (0.0503746% change) linmin: converged after 4 iterations. iteration 8: trace = 1.053206381305628 (0.022419% change) linmin: converged after 3 iterations. iteration 9: trace = 1.053116219805339 (0.00856103% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053071769622508 (0.00422091% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053056103815011 (0.00148764% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053047222787794 (0.000843361% change) linmin: converged after 5 iterations. iteration 13: trace = 1.053042139513933 (0.000482722% change) linmin: converged after 5 iterations. iteration 14: trace = 1.053037941123147 (0.000398692% change) linmin: converged after 5 iterations. iteration 15: trace = 1.053035343143514 (0.000246713% change) linmin: converged after 5 iterations. iteration 16: trace = 1.053034079935653 (0.000119959% change) linmin: converged after 5 iterations. iteration 17: trace = 1.053033595937136 (4.59623e-05% change) linmin: converged after 7 iterations. iteration 18: trace = 1.053033362151741 (2.22011e-05% change) linmin: converged after 9 iterations. iteration 19: trace = 1.053033220622987 (1.34401e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 1.053033136180599 (8.01897e-06% change) linmin: converged after 10 iterations. iteration 21: trace = 1.053033092856761 (4.1142e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053033069955637 (2.17478e-06% change) linmin: converged after 20 iterations. iteration 23: trace = 1.053033056567452 (1.27139e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.053033050086778 (6.15429e-07% change) linmin: converged after 7 iterations. iteration 25: trace = 1.053033046929906 (2.99788e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053033045492603 (1.36492e-07% change) linmin: converged after 30 iterations. iteration 27: trace = 1.053033044713362 (7.39996e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05303304419562 (4.91668e-08% change) linmin: converged after 3 iterations. iteration 29: trace = 1.05303304381155 (3.64727e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05303304357991 (2.19975e-08% change) linmin: converged after 12 iterations. iteration 31: trace = 1.053033043469699 (1.0466e-08% change) linmin: converged after 7 iterations. iteration 32: trace = 1.053033043429301 (3.8363e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 1.0530330434156 (1.3011e-09% change) linmin: converged after 13 iterations. iteration 34: trace = 1.053033043410165 (5.16106e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.053033043407258 (2.7606e-10% change) linmin: converged after 5 iterations. iteration 36: trace = 1.053033043404644 (2.4829e-10% change) linmin: converged after 9 iterations. iteration 37: trace = 1.053033043402348 (2.1801e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.053033043401221 (1.07055e-10% change) linmin: converged after 4 iterations. iteration 39: trace = 1.053033043400877 (3.26625e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 15, 0, 0.1, 0, 0.173205, 0.0813864, 0.0818061, 0.587706, 0.587881, 0.59052 elapsed time for k point: 0.33620190620422363 solve_kpoint (0,0,0): Solving for bands 3 to 5... linmin: converged after 7 iterations. iteration 1: trace = 1.125418509190836 (26.786% change) linmin: converged after 6 iterations. iteration 2: trace = 1.086199374680966 (3.54665% change) linmin: converged after 4 iterations. iteration 3: trace = 1.077433840602779 (0.810261% change) linmin: converged after 5 iterations. iteration 4: trace = 1.070916422402577 (0.606737% change) linmin: converged after 5 iterations. iteration 5: trace = 1.067955177230516 (0.276898% change) linmin: converged after 4 iterations. iteration 6: trace = 1.066404296467224 (0.145325% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065591405105607 (0.0762564% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065169288340976 (0.0396212% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064947504768299 (0.0208236% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064821092340354 (0.011871% change) linmin: converged after 4 iterations. iteration 11: trace = 1.064775779630051 (0.00425552% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064759862322812 (0.00149491% change) linmin: converged after 4 iterations. iteration 13: trace = 1.064754343598675 (0.000518308% change) linmin: converged after 4 iterations. iteration 14: trace = 1.064752586160355 (0.000165056% change) linmin: converged after 6 iterations. iteration 15: trace = 1.06475193418626 (6.12325e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064751716375277 (2.04565e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064751641473009 (7.03472e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.064751608763356 (3.07205e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06475159444411 (1.34484e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064751588378962 (5.6963e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064751585065904 (3.11158e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.064751582775834 (2.1508e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.064751581427304 (1.26652e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.064751580863343 (5.29664e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.064751580697916 (1.55367e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064751580656116 (3.92583e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064751580642665 (1.2633e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.06475158063819 (4.20211e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 1.064751580636453 (1.63184e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 1.064751580635709 (6.98613e-11% change) Finished solving for bands 3 to 5 after 30 iterations. freqs:, 16, 0, 0, 0, 0, 0, 0, 0.59559, 0.595819, 0.595839 elapsed time for k point: 0.13528656959533691 solve_kpoint (0,0.1,0.1): Solving for bands 1 to 5... linmin: converged after 9 iterations. iteration 1: trace = 1.083139123993515 (4.15252% change) linmin: converged after 8 iterations. iteration 2: trace = 1.067759464050544 (1.43007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.058743055847533 (0.848004% change) linmin: converged after 4 iterations. iteration 4: trace = 1.055821359692891 (0.27634% change) linmin: converged after 4 iterations. iteration 5: trace = 1.055194292753252 (0.059409% change) linmin: converged after 4 iterations. iteration 6: trace = 1.054515707102696 (0.0643298% change) linmin: converged after 4 iterations. iteration 7: trace = 1.054199358517807 (0.0300039% change) linmin: converged after 4 iterations. iteration 8: trace = 1.054015026128709 (0.0174871% change) linmin: converged after 4 iterations. iteration 9: trace = 1.053945642710522 (0.00658299% change) linmin: converged after 4 iterations. iteration 10: trace = 1.053916462348828 (0.00276872% change) linmin: converged after 4 iterations. iteration 11: trace = 1.053905508373106 (0.00103936% change) linmin: converged after 4 iterations. iteration 12: trace = 1.053902318616982 (0.000302661% change) linmin: converged after 3 iterations. iteration 13: trace = 1.053901410289628 (8.61871e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.053901190385522 (2.08657e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.053901094722907 (9.077e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.053901042329603 (4.97137e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.053901016387587 (2.46152e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.053901002297739 (1.33692e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.053900994619984 (7.28508e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.053900989320632 (5.02832e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.053900987123137 (2.08511e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.053900986524413 (5.68102e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.053900986366484 (1.49852e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 1.053900986325053 (3.93117e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.053900986310451 (1.38559e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 1.053900986303701 (6.40492e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 1.053900986300592 (2.94985e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.05390098629891 (1.59575e-10% change) linmin: converged after 7 iterations. iteration 29: trace = 1.0539009862981 (7.6817e-11% change) Finished solving for bands 1 to 5 after 29 iterations. freqs:, 17, 0, 0.1, 0.1, 0.2, 0.09409, 0.0944497, 0.585515, 0.585945, 0.591581 elapsed time for k point: 0.23985886573791504 solve_kpoint (0,0.2,0.2): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065595398928579 (3.90048% change) linmin: converged after 6 iterations. iteration 2: trace = 1.05545012730131 (0.956629% change) linmin: converged after 4 iterations. iteration 3: trace = 1.052399474005146 (0.289456% change) linmin: converged after 4 iterations. iteration 4: trace = 1.05104742363618 (0.128556% change) linmin: converged after 4 iterations. iteration 5: trace = 1.050891451863719 (0.0148408% change) linmin: converged after 4 iterations. iteration 6: trace = 1.050820039910738 (0.0067956% change) linmin: converged after 4 iterations. iteration 7: trace = 1.050776389407954 (0.00415403% change) linmin: converged after 22 iterations. iteration 8: trace = 1.050735518700124 (0.00388965% change) linmin: converged after 9 iterations. iteration 9: trace = 1.050712406629498 (0.00219963% change) linmin: converged after 5 iterations. iteration 10: trace = 1.050703645182211 (0.000833861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.05070052794763 (0.000296681% change) linmin: converged after 5 iterations. iteration 12: trace = 1.050699532774888 (9.47152e-05% change) linmin: converged after 7 iterations. iteration 13: trace = 1.050699177150718 (3.38464e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.050699067583428 (1.0428e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.050699026853781 (3.87643e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.050699005022337 (2.0778e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.05069898996691 (1.4329e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.050698977063516 (1.22808e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.050698967444914 (9.15448e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.05069896036237 (6.74079e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.050698956757341 (3.43108e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.050698955164584 (1.5159e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 1.050698954594422 (5.42651e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 1.050698954368867 (2.14671e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 1.050698954208976 (1.52176e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.050698954069499 (1.32747e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.050698953980485 (8.4719e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.05069895394582 (3.29923e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.050698953935617 (9.71084e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.050698953931685 (3.74182e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 1.050698953929971 (1.63126e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 1.050698953929234 (7.01406e-11% change) Finished solving for bands 1 to 5 after 32 iterations. freqs:, 18, 0, 0.2, 0.2, 0.4, 0.185559, 0.18625, 0.566601, 0.567223, 0.582064 elapsed time for k point: 0.3028414249420166 solve_kpoint (0,0.3,0.3): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.088279540873554 (4.02105% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078010312383157 (0.948094% change) linmin: converged after 3 iterations. iteration 3: trace = 1.076219990626864 (0.166215% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075124540387689 (0.101839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07488881031914 (0.0219282% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074611210358773 (0.0258293% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074337620664562 (0.0254627% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07413313855772 (0.0190351% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074051063054056 (0.00764138% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074029420989965 (0.00201501% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074020142121589 (0.000863934% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074016815860834 (0.000309702% change) linmin: converged after 5 iterations. iteration 13: trace = 1.074015086574427 (0.000161011% change) linmin: converged after 6 iterations. iteration 14: trace = 1.074014221795601 (8.05183e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074013421483326 (7.4516e-05% change) large trace change predicted (0.000149807%) linmin: converged after 5 iterations. iteration 16: trace = 1.074011812469476 (0.000149813% change) large trace change predicted (0.000490882%) linmin: converged after 10 iterations. iteration 17: trace = 1.074006542454389 (0.000490686% change) large trace change predicted (0.00906198%) linmin: converged after 6 iterations. iteration 18: trace = 1.073941701043524 (0.00603752% change) large trace change predicted (0.0314784%) linmin: converged after 12 iterations. iteration 19: trace = 1.073871054644488 (0.00657845% change) linmin: converged after 7 iterations. iteration 20: trace = 1.073836865045437 (0.00318382% change) linmin: converged after 4 iterations. iteration 21: trace = 1.073810051812881 (0.00249699% change) linmin: converged after 4 iterations. iteration 22: trace = 1.073786930252984 (0.00215325% change) linmin: converged after 5 iterations. iteration 23: trace = 1.073765951855709 (0.0019537% change) linmin: converged after 4 iterations. iteration 24: trace = 1.073746099954997 (0.00184883% change) linmin: converged after 4 iterations. iteration 25: trace = 1.07372654968384 (0.00182077% change) linmin: converged after 4 iterations. iteration 26: trace = 1.07370665270057 (0.00185309% change) linmin: converged after 4 iterations. iteration 27: trace = 1.073686048065295 (0.00191904% change) linmin: converged after 5 iterations. iteration 28: trace = 1.073664807517757 (0.0019783% change) linmin: converged after 5 iterations. iteration 29: trace = 1.073643487597951 (0.00198573% change) linmin: converged after 4 iterations. iteration 30: trace = 1.073622933050627 (0.00191449% change) linmin: converged after 4 iterations. iteration 31: trace = 1.073603845346755 (0.00177789% change) linmin: converged after 6 iterations. iteration 32: trace = 1.073586422595537 (0.00162284% change) linmin: converged after 5 iterations. iteration 33: trace = 1.073570337616839 (0.00149826% change) linmin: converged after 6 iterations. iteration 34: trace = 1.073554964235346 (0.001432% change) linmin: converged after 4 iterations. iteration 35: trace = 1.07353962913353 (0.00142845% change) linmin: converged after 4 iterations. iteration 36: trace = 1.07352380058229 (0.00147444% change) linmin: converged after 4 iterations. iteration 37: trace = 1.07350721916049 (0.00154459% change) linmin: converged after 4 iterations. iteration 38: trace = 1.073489950025206 (0.00160868% change) linmin: converged after 4 iterations. iteration 39: trace = 1.073472300742344 (0.00164412% change) linmin: converged after 4 iterations. iteration 40: trace = 1.073454608133454 (0.00164818% change) linmin: converged after 4 iterations. iteration 41: trace = 1.073437013942841 (0.00163904% change) linmin: converged after 4 iterations. iteration 42: trace = 1.073419364058392 (0.00164425% change) linmin: converged after 4 iterations. iteration 43: trace = 1.073401253309573 (0.00168722% change) linmin: converged after 4 iterations. iteration 44: trace = 1.073382150317043 (0.00177969% change) linmin: converged after 4 iterations. iteration 45: trace = 1.07336154432539 (0.00191974% change) linmin: converged after 4 iterations. iteration 46: trace = 1.073339086928109 (0.00209227% change) linmin: converged after 4 iterations. iteration 47: trace = 1.073314699937172 (0.00227209% change) linmin: converged after 4 iterations. iteration 48: trace = 1.073288605942993 (0.00243119% change) linmin: converged after 4 iterations. iteration 49: trace = 1.073261255811686 (0.00254829% change) linmin: converged after 4 iterations. iteration 50: trace = 1.073233183714413 (0.00261562% change) linmin: converged after 4 iterations. iteration 51: trace = 1.073204865455954 (0.00263863% change) linmin: converged after 4 iterations. iteration 52: trace = 1.073176643673077 (0.00262971% change) linmin: converged after 4 iterations. iteration 53: trace = 1.073148730865096 (0.00260099% change) linmin: converged after 4 iterations. iteration 54: trace = 1.073121259315561 (0.00255993% change) linmin: converged after 4 iterations. iteration 55: trace = 1.07309433867515 (0.00250866% change) linmin: converged after 5 iterations. iteration 56: trace = 1.073068095131715 (0.00244563% change) linmin: converged after 6 iterations. iteration 57: trace = 1.073042683039002 (0.0023682% change) linmin: converged after 4 iterations. iteration 58: trace = 1.07301827264155 (0.0022749% change) linmin: converged after 4 iterations. iteration 59: trace = 1.072995024705294 (0.00216662% change) linmin: converged after 4 iterations. iteration 60: trace = 1.072973064582972 (0.00204664% change) linmin: converged after 4 iterations. iteration 61: trace = 1.072952465308809 (0.00191985% change) linmin: converged after 4 iterations. iteration 62: trace = 1.072933243744828 (0.00179148% change) linmin: converged after 4 iterations. iteration 63: trace = 1.072915368319464 (0.00166605% change) linmin: converged after 4 iterations. iteration 64: trace = 1.072898773564854 (0.00154671% change) linmin: converged after 4 iterations. iteration 65: trace = 1.072883375990663 (0.00143515% change) linmin: converged after 6 iterations. iteration 66: trace = 1.0728690870667 (0.00133183% change) linmin: converged after 4 iterations. iteration 67: trace = 1.072855821086758 (0.0012365% change) linmin: converged after 5 iterations. iteration 68: trace = 1.072843497615136 (0.00114867% change) linmin: converged after 4 iterations. iteration 69: trace = 1.072832039669942 (0.001068% change) resetting CG direction... large trace change predicted (0.0590982%) linmin: converged after 3 iterations. iteration 70: trace = 1.072198123213173 (0.0591056% change) linmin: converged after 3 iterations. iteration 71: trace = 1.071347118239733 (0.0794016% change) linmin: converged after 5 iterations. iteration 72: trace = 1.070541463028519 (0.0752285% change) linmin: converged after 5 iterations. iteration 73: trace = 1.069893830565265 (0.0605141% change) linmin: converged after 4 iterations. iteration 74: trace = 1.069675879075328 (0.0203734% change) linmin: converged after 4 iterations. iteration 75: trace = 1.069604565077048 (0.0066671% change) linmin: converged after 4 iterations. iteration 76: trace = 1.069582041223729 (0.00210583% change) linmin: converged after 4 iterations. iteration 77: trace = 1.069571765034444 (0.000960771% change) linmin: converged after 3 iterations. iteration 78: trace = 1.069569886835617 (0.000175603% change) linmin: converged after 24 iterations. iteration 79: trace = 1.06956893456843 (8.90328e-05% change) linmin: converged after 4 iterations. iteration 80: trace = 1.069568397381592 (5.02246e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 1.069567984275286 (3.86237e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 1.069567784172026 (1.87088e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 1.069567559606956 (2.09959e-05% change) linmin: converged after 4 iterations. iteration 84: trace = 1.06956739532616 (1.53596e-05% change) linmin: converged after 3 iterations. iteration 85: trace = 1.069567279689921 (1.08115e-05% change) linmin: converged after 7 iterations. iteration 86: trace = 1.069567202427575 (7.2237e-06% change) linmin: converged after 13 iterations. iteration 87: trace = 1.069567123735572 (7.35737e-06% change) linmin: converged after 4 iterations. iteration 88: trace = 1.069566990372406 (1.24689e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 1.069566806435123 (1.71974e-05% change) linmin: converged after 18 iterations. iteration 90: trace = 1.069566611505561 (1.82251e-05% change) linmin: converged after 3 iterations. iteration 91: trace = 1.069566258368391 (3.30169e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 1.069565649811474 (5.68976e-05% change) large trace change predicted (0.000165074%) linmin: converged after 4 iterations. iteration 93: trace = 1.069563887345637 (0.000164783% change) large trace change predicted (0.000584339%) linmin: converged after 6 iterations. iteration 94: trace = 1.069557815178935 (0.000567725% change) large trace change predicted (0.00612923%) linmin: converged after 7 iterations. iteration 95: trace = 1.069531840301829 (0.00242859% change) linmin: converged after 7 iterations. iteration 96: trace = 1.06951158152307 (0.00189419% change) linmin: converged after 7 iterations. iteration 97: trace = 1.06949650195719 (0.00140996% change) linmin: converged after 7 iterations. iteration 98: trace = 1.069483719262493 (0.00119521% change) linmin: converged after 6 iterations. iteration 99: trace = 1.069471280069923 (0.00116311% change) linmin: converged after 5 iterations. iteration 100: trace = 1.069459236278697 (0.00112615% change) linmin: converged after 6 iterations. iteration 101: trace = 1.069448853527677 (0.000970846% change) linmin: converged after 9 iterations. iteration 102: trace = 1.069440425309504 (0.000788093% change) linmin: converged after 6 iterations. iteration 103: trace = 1.069433418690631 (0.000655169% change) linmin: converged after 7 iterations. iteration 104: trace = 1.069427354305229 (0.000567067% change) linmin: converged after 7 iterations. iteration 105: trace = 1.069421994829825 (0.000501155% change) linmin: converged after 7 iterations. iteration 106: trace = 1.06941724042802 (0.000444578% change) linmin: converged after 5 iterations. iteration 107: trace = 1.069413025117769 (0.00039417% change) linmin: converged after 5 iterations. iteration 108: trace = 1.069409275547888 (0.00035062% change) linmin: converged after 8 iterations. iteration 109: trace = 1.069405911972547 (0.000314527% change) linmin: converged after 6 iterations. iteration 110: trace = 1.069402860891335 (0.000285307% change) linmin: converged after 5 iterations. iteration 111: trace = 1.069400062375236 (0.00026169% change) linmin: converged after 7 iterations. iteration 112: trace = 1.069397472713876 (0.00024216% change) linmin: converged after 6 iterations. iteration 113: trace = 1.069395060383547 (0.000225579% change) linmin: converged after 9 iterations. iteration 114: trace = 1.069392801032389 (0.000211274% change) linmin: converged after 8 iterations. iteration 115: trace = 1.069390673738402 (0.000198926% change) linmin: converged after 6 iterations. iteration 116: trace = 1.069388657714768 (0.000188521% change) linmin: converged after 6 iterations. iteration 117: trace = 1.069386731644227 (0.00018011% change) linmin: converged after 5 iterations. iteration 118: trace = 1.069384873730894 (0.000173736% change) linmin: converged after 5 iterations. iteration 119: trace = 1.069383062883039 (0.000169336% change) linmin: converged after 10 iterations. iteration 120: trace = 1.069381280066676 (0.000166715% change) linmin: converged after 7 iterations. iteration 121: trace = 1.069379509487148 (0.000165571% change) linmin: converged after 8 iterations. iteration 122: trace = 1.069377739525456 (0.000165513% change) linmin: converged after 6 iterations. iteration 123: trace = 1.069375963507896 (0.00016608% change) linmin: converged after 10 iterations. iteration 124: trace = 1.069374179731154 (0.000166806% change) linmin: converged after 5 iterations. iteration 125: trace = 1.069372391031961 (0.000167266% change) linmin: converged after 7 iterations. iteration 126: trace = 1.069370603907787 (0.000167119% change) linmin: converged after 10 iterations. iteration 127: trace = 1.069368827217261 (0.000166144% change) linmin: converged after 5 iterations. iteration 128: trace = 1.069367070674866 (0.00016426% change) linmin: converged after 6 iterations. iteration 129: trace = 1.069365343459912 (0.000161518% change) linmin: converged after 6 iterations. iteration 130: trace = 1.069363653232463 (0.000158059% change) linmin: converged after 6 iterations. iteration 131: trace = 1.06936200548704 (0.000154087% change) linmin: converged after 7 iterations. iteration 132: trace = 1.069360403300531 (0.000149827% change) linmin: converged after 14 iterations. iteration 133: trace = 1.069358847548523 (0.000145484% change) linmin: converged after 6 iterations. iteration 134: trace = 1.069357337356084 (0.000141224% change) linmin: converged after 7 iterations. iteration 135: trace = 1.069355870473734 (0.000137174% change) linmin: converged after 6 iterations. iteration 136: trace = 1.069354443947797 (0.000133401% change) linmin: converged after 8 iterations. iteration 137: trace = 1.069353054482242 (0.000129935% change) linmin: converged after 5 iterations. iteration 138: trace = 1.069351698944842 (0.000126762% change) linmin: converged after 8 iterations. iteration 139: trace = 1.069350374574078 (0.000123848% change) resetting CG direction... large trace change predicted (0.014546%) linmin: converged after 4 iterations. iteration 140: trace = 1.069194674078868 (0.0145613% change) linmin: converged after 3 iterations. iteration 141: trace = 1.069117229618983 (0.00724351% change) linmin: converged after 3 iterations. iteration 142: trace = 1.069075435411627 (0.0039093% change) linmin: converged after 4 iterations. iteration 143: trace = 1.069028118000609 (0.00442611% change) linmin: converged after 5 iterations. iteration 144: trace = 1.068963764327453 (0.00602001% change) linmin: converged after 5 iterations. iteration 145: trace = 1.068914031982284 (0.0046525% change) linmin: converged after 7 iterations. iteration 146: trace = 1.06885669529657 (0.00536416% change) linmin: converged after 6 iterations. iteration 147: trace = 1.068800655539407 (0.0052431% change) linmin: converged after 3 iterations. iteration 148: trace = 1.068757373421296 (0.00404968% change) linmin: converged after 5 iterations. iteration 149: trace = 1.06871741940429 (0.00373843% change) linmin: converged after 9 iterations. iteration 150: trace = 1.068678935993993 (0.00360096% change) linmin: converged after 6 iterations. iteration 151: trace = 1.068654694120156 (0.00226842% change) linmin: converged after 5 iterations. iteration 152: trace = 1.068642743934376 (0.00111825% change) linmin: converged after 5 iterations. iteration 153: trace = 1.068637179155169 (0.000520735% change) linmin: converged after 8 iterations. iteration 154: trace = 1.068633795993423 (0.000316587% change) linmin: converged after 8 iterations. iteration 155: trace = 1.068631062838858 (0.000255762% change) linmin: converged after 5 iterations. iteration 156: trace = 1.06862861063566 (0.000229472% change) linmin: converged after 7 iterations. iteration 157: trace = 1.068627264826065 (0.000125938% change) linmin: converged after 5 iterations. iteration 158: trace = 1.068626757620196 (4.74633e-05% change) linmin: converged after 4 iterations. iteration 159: trace = 1.068626630711401 (1.18759e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 1.068626598200819 (3.04228e-06% change) linmin: converged after 8 iterations. iteration 161: trace = 1.068626583537483 (1.37217e-06% change) linmin: converged after 4 iterations. iteration 162: trace = 1.068626572382386 (1.04387e-06% change) linmin: converged after 3 iterations. iteration 163: trace = 1.068626562840985 (8.92866e-07% change) linmin: converged after 7 iterations. iteration 164: trace = 1.068626555549581 (6.82315e-07% change) linmin: converged after 15 iterations. iteration 165: trace = 1.068626551021941 (4.23688e-07% change) linmin: converged after 4 iterations. iteration 166: trace = 1.06862654726605 (3.51469e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 1.068626545007675 (2.11334e-07% change) linmin: converged after 9 iterations. iteration 168: trace = 1.068626543631622 (1.28768e-07% change) linmin: converged after 5 iterations. iteration 169: trace = 1.068626542457055 (1.09914e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 1.068626540775745 (1.57334e-07% change) large trace change predicted (3.15175e-07%) linmin: converged after 7 iterations. iteration 171: trace = 1.068626537407016 (3.15239e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 1.068626533723195 (3.44725e-07% change) linmin: converged after 21 iterations. iteration 173: trace = 1.068626531663351 (1.92756e-07% change) linmin: converged after 12 iterations. iteration 174: trace = 1.068626530817167 (7.91843e-08% change) linmin: converged after 12 iterations. iteration 175: trace = 1.068626530497293 (2.99332e-08% change) linmin: converged after 7 iterations. iteration 176: trace = 1.068626530333551 (1.53227e-08% change) linmin: converged after 4 iterations. iteration 177: trace = 1.068626530258664 (7.00774e-09% change) linmin: converged after 6 iterations. iteration 178: trace = 1.068626530162968 (8.95508e-09% change) large trace change predicted (2.12929e-08%) linmin: converged after 4 iterations. iteration 179: trace = 1.068626529935186 (2.13153e-08% change) linmin: converged after 8 iterations. iteration 180: trace = 1.06862652955323 (3.57428e-08% change) linmin: converged after 5 iterations. iteration 181: trace = 1.068626528973315 (5.42673e-08% change) linmin: converged after 4 iterations. iteration 182: trace = 1.068626528427385 (5.10871e-08% change) linmin: converged after 5 iterations. iteration 183: trace = 1.06862652772693 (6.55472e-08% change) linmin: converged after 5 iterations. iteration 184: trace = 1.06862652690388 (7.70194e-08% change) linmin: converged after 3 iterations. iteration 185: trace = 1.068626526189199 (6.68785e-08% change) linmin: converged after 4 iterations. iteration 186: trace = 1.068626525702382 (4.55554e-08% change) linmin: converged after 9 iterations. iteration 187: trace = 1.068626525445897 (2.40013e-08% change) linmin: converged after 3 iterations. iteration 188: trace = 1.068626525378705 (6.28772e-09% change) linmin: converged after 4 iterations. iteration 189: trace = 1.068626525351078 (2.58526e-09% change) linmin: converged after 3 iterations. iteration 190: trace = 1.06862652533912 (1.11901e-09% change) linmin: converged after 3 iterations. iteration 191: trace = 1.068626525324242 (1.39231e-09% change) linmin: converged after 3 iterations. iteration 192: trace = 1.068626525309263 (1.4017e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 1.068626525303099 (5.7679e-10% change) linmin: converged after 4 iterations. iteration 194: trace = 1.068626525300159 (2.7517e-10% change) linmin: converged after 5 iterations. iteration 195: trace = 1.068626525298999 (1.08505e-10% change) linmin: converged after 3 iterations. iteration 196: trace = 1.068626525298606 (3.68195e-11% change) Finished solving for bands 1 to 5 after 196 iterations. freqs:, 19, 0, 0.3, 0.3, 0.6, 0.271029, 0.271988, 0.546939, 0.547286, 0.567915 elapsed time for k point: 2.3607308864593506 solve_kpoint (0,0.4,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.09676373046218 (4.83164% change) linmin: converged after 4 iterations. iteration 2: trace = 1.082691277589466 (1.29137% change) linmin: converged after 3 iterations. iteration 3: trace = 1.079957260528795 (0.25284% change) linmin: converged after 5 iterations. iteration 4: trace = 1.07764773731734 (0.214082% change) linmin: converged after 4 iterations. iteration 5: trace = 1.076735253705281 (0.0847095% change) linmin: converged after 5 iterations. iteration 6: trace = 1.075213699012749 (0.141412% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074492218765974 (0.0671236% change) linmin: converged after 3 iterations. iteration 8: trace = 1.074213739467549 (0.0259207% change) linmin: converged after 3 iterations. iteration 9: trace = 1.074138188251446 (0.00703341% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074123932232067 (0.00132721% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074120393735298 (0.000329432% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074119608461603 (7.31086e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.074119350205694 (2.40435e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 1.074119193446577 (1.45942e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.074119086979259 (9.91206e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 1.07411899846238 (8.24088e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074118951624113 (4.36062e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074118930569966 (1.96013e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.074118922703944 (7.32323e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074118920440504 (2.10725e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074118919553628 (8.25677e-08% change) linmin: converged after 20 iterations. iteration 22: trace = 1.074118918883232 (6.24136e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 1.074118918125842 (7.05127e-08% change) linmin: converged after 24 iterations. iteration 24: trace = 1.074118917274336 (7.92748e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074118916478545 (7.40878e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074118915076856 (1.30497e-07% change) large trace change predicted (3.47216e-07%) linmin: converged after 2 iterations. iteration 27: trace = 1.074118911347338 (3.47216e-07% change) large trace change predicted (1.06055e-06%) linmin: converged after 2 iterations. iteration 28: trace = 1.074118899955731 (1.06055e-06% change) large trace change predicted (3.74552e-06%) linmin: converged after 4 iterations. iteration 29: trace = 1.074118859726342 (3.74534e-06% change) large trace change predicted (2.30294e-05%) linmin: converged after 6 iterations. iteration 30: trace = 1.074118613396065 (2.29332e-05% change) near maximum in trace linmin: converged after 14 iterations. iteration 31: trace = 1.074108656646908 (0.000926974% change) linmin: converged after 7 iterations. iteration 32: trace = 1.074107966624208 (6.42414e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.074107274939571 (6.43962e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 1.074106574379339 (6.52226e-05% change) linmin: converged after 7 iterations. iteration 35: trace = 1.074105856059128 (6.68761e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 1.074105113322936 (6.91493e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.074104343007871 (7.17169e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 1.074103545951054 (7.42067e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 1.07410272682279 (7.62616e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 1.074101893138382 (7.76169e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 1.074101053725188 (7.81503e-05% change) linmin: converged after 7 iterations. iteration 42: trace = 1.074100217337326 (7.78687e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 1.074099391966481 (7.6843e-05% change) linmin: converged after 6 iterations. iteration 44: trace = 1.074098584810139 (7.51473e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 1.074097802433133 (7.28404e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 1.074097050705479 (6.99869e-05% change) linmin: converged after 6 iterations. iteration 47: trace = 1.074096334430325 (6.66863e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 1.07409565686185 (6.30827e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 1.074095019383428 (5.93503e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 1.07409442149858 (5.56641e-05% change) linmin: converged after 7 iterations. iteration 51: trace = 1.074093861118876 (5.21723e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 1.074093335024875 (4.89803e-05% change) linmin: converged after 9 iterations. iteration 53: trace = 1.07409283939711 (4.61438e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 1.074092370113571 (4.36912e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 1.074091923256406 (4.16032e-05% change) linmin: converged after 6 iterations. iteration 56: trace = 1.074091495242604 (3.98489e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 1.074091082941412 (3.8386e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 1.074090683728918 (3.71675e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 1.074090295505451 (3.61444e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 1.074089916681102 (3.52693e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 1.074089546094833 (3.45024e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 1.074089182963636 (3.38083e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.074088826791051 (3.31604e-05% change) linmin: converged after 6 iterations. iteration 64: trace = 1.074088477312062 (3.25373e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 1.074088134417222 (3.19243e-05% change) linmin: converged after 6 iterations. iteration 66: trace = 1.07408779808815 (3.1313e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.074087468362276 (3.06982e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 1.074087145274952 (3.00802e-05% change) linmin: converged after 5 iterations. iteration 69: trace = 1.074086828846009 (2.94603e-05% change) resetting CG direction... large trace change predicted (0.00552372%) linmin: converged after 5 iterations. iteration 70: trace = 1.074027493717414 (0.00552439% change) linmin: converged after 5 iterations. iteration 71: trace = 1.07398995781575 (0.00349493% change) linmin: converged after 5 iterations. iteration 72: trace = 1.073965807916534 (0.00224864% change) linmin: converged after 8 iterations. iteration 73: trace = 1.073953302254915 (0.00116444% change) linmin: converged after 4 iterations. iteration 74: trace = 1.073950631525306 (0.000248682% change) linmin: converged after 3 iterations. iteration 75: trace = 1.073949453542193 (0.000109687% change) linmin: converged after 6 iterations. iteration 76: trace = 1.073948843714901 (5.67836e-05% change) linmin: converged after 21 iterations. iteration 77: trace = 1.073948012424094 (7.74051e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 1.073947355572637 (6.11623e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 1.073947066424464 (2.69239e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 1.073946952225013 (1.06336e-05% change) linmin: converged after 2 iterations. iteration 81: trace = 1.073946905475717 (4.35304e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 1.073946876259188 (2.72048e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 1.073946859382544 (1.57146e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 1.073946850788527 (8.00227e-07% change) linmin: converged after 6 iterations. iteration 85: trace = 1.073946846427495 (4.06075e-07% change) linmin: converged after 25 iterations. iteration 86: trace = 1.073946843003072 (3.18863e-07% change) linmin: converged after 4 iterations. iteration 87: trace = 1.073946839409046 (3.34656e-07% change) large trace change predicted (7.27062e-07%) linmin: converged after 3 iterations. iteration 88: trace = 1.073946831600816 (7.27059e-07% change) large trace change predicted (1.48103e-06%) linmin: converged after 4 iterations. iteration 89: trace = 1.073946815695358 (1.48103e-06% change) large trace change predicted (4.37951e-06%) linmin: converged after 5 iterations. iteration 90: trace = 1.073946768662516 (4.37944e-06% change) linmin: converged after 6 iterations. iteration 91: trace = 1.073946679821678 (8.27237e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 1.073946529008632 (1.40429e-05% change) linmin: converged after 5 iterations. iteration 93: trace = 1.07394636530593 (1.52431e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 1.073946255251097 (1.02477e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 1.073946149707093 (9.82768e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 1.073946053608511 (8.94818e-06% change) linmin: converged after 6 iterations. iteration 97: trace = 1.073945952647669 (9.40092e-06% change) linmin: converged after 9 iterations. iteration 98: trace = 1.073945869385615 (7.75291e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 1.073945843503251 (2.41003e-06% change) linmin: converged after 4 iterations. iteration 100: trace = 1.0739458373822 (5.69959e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 1.073945836401789 (9.12906e-08% change) linmin: converged after 6 iterations. iteration 102: trace = 1.073945836058058 (3.20064e-08% change) linmin: converged after 5 iterations. iteration 103: trace = 1.073945835877834 (1.67814e-08% change) linmin: converged after 21 iterations. iteration 104: trace = 1.073945835763812 (1.06171e-08% change) linmin: converged after 7 iterations. iteration 105: trace = 1.073945835716336 (4.42069e-09% change) linmin: converged after 10 iterations. iteration 106: trace = 1.073945835701665 (1.36606e-09% change) linmin: converged after 3 iterations. iteration 107: trace = 1.073945835696708 (4.61624e-10% change) linmin: converged after 4 iterations. iteration 108: trace = 1.073945835694309 (2.23296e-10% change) linmin: converged after 13 iterations. iteration 109: trace = 1.073945835692663 (1.5333e-10% change) linmin: converged after 3 iterations. iteration 110: trace = 1.073945835691533 (1.05239e-10% change) linmin: converged after 3 iterations. iteration 111: trace = 1.073945835690725 (7.52385e-11% change) Finished solving for bands 1 to 5 after 111 iterations. freqs:, 20, 0, 0.4, 0.4, 0.8, 0.343862, 0.344966, 0.517995, 0.519047, 0.546786 elapsed time for k point: 1.4064748287200928 solve_kpoint (0,0.5,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.093863489470061 (5.33662% change) linmin: converged after 4 iterations. iteration 2: trace = 1.078476777688544 (1.4166% change) linmin: converged after 4 iterations. iteration 3: trace = 1.076328697155982 (0.199376% change) linmin: converged after 4 iterations. iteration 4: trace = 1.075208255595951 (0.104153% change) linmin: converged after 4 iterations. iteration 5: trace = 1.07503517157428 (0.016099% change) linmin: converged after 4 iterations. iteration 6: trace = 1.074955695782235 (0.00739313% change) linmin: converged after 4 iterations. iteration 7: trace = 1.074896058833362 (0.00554801% change) linmin: converged after 5 iterations. iteration 8: trace = 1.074864563428873 (0.00293013% change) linmin: converged after 4 iterations. iteration 9: trace = 1.074852338404324 (0.00113736% change) linmin: converged after 4 iterations. iteration 10: trace = 1.074850012942938 (0.000216352% change) linmin: converged after 4 iterations. iteration 11: trace = 1.074849426029419 (5.46042e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 1.074849271410158 (1.43852e-05% change) linmin: converged after 9 iterations. iteration 13: trace = 1.074849229292721 (3.91845e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.074849215166149 (1.31428e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.074849211829465 (3.10433e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 1.074849210719722 (1.03246e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 1.074849209946279 (7.19582e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 1.074849209005695 (8.75085e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 1.074849207760994 (1.15802e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.074849206703752 (9.83619e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 1.074849205562663 (1.06163e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 1.074849203559148 (1.864e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.074849200235667 (3.09204e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.074849195274801 (4.61541e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.074849189777705 (5.11429e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.074849181222386 (7.95955e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.074849167022692 (1.32109e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.074849153566981 (1.25187e-06% change) linmin: converged after 16 iterations. iteration 29: trace = 1.074849145742549 (7.27956e-07% change) linmin: converged after 3 iterations. iteration 30: trace = 1.074849142292259 (3.21002e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 1.074849140247105 (1.90274e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.07484913871434 (1.42603e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.074849137906281 (7.51787e-08% change) linmin: converged after 2 iterations. iteration 34: trace = 1.074849137608582 (2.76969e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.074849137533784 (6.9589e-09% change) linmin: converged after 2 iterations. iteration 36: trace = 1.074849137516846 (1.57591e-09% change) linmin: converged after 2 iterations. iteration 37: trace = 1.074849137512896 (3.67489e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 1.074849137511864 (9.60194e-11% change) Finished solving for bands 1 to 5 after 38 iterations. freqs:, 21, 0, 0.5, 0.5, 1, 0.38015, 0.381243, 0.495263, 0.496788, 0.541208 elapsed time for k point: 0.37249135971069336 solve_kpoint (0.05,0.55,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.078756946581757 (0.894499% change) linmin: converged after 5 iterations. iteration 2: trace = 1.075235337821099 (0.326984% change) linmin: converged after 5 iterations. iteration 3: trace = 1.073638839416679 (0.148589% change) linmin: converged after 4 iterations. iteration 4: trace = 1.073077825185615 (0.0522672% change) linmin: converged after 4 iterations. iteration 5: trace = 1.072780827427175 (0.027681% change) linmin: converged after 4 iterations. iteration 6: trace = 1.072586993276598 (0.01807% change) linmin: converged after 4 iterations. iteration 7: trace = 1.072447691945423 (0.0129883% change) linmin: converged after 4 iterations. iteration 8: trace = 1.07239326667108 (0.00507499% change) linmin: converged after 4 iterations. iteration 9: trace = 1.07236325167962 (0.00279892% change) linmin: converged after 4 iterations. iteration 10: trace = 1.072354631902956 (0.000803814% change) linmin: converged after 4 iterations. iteration 11: trace = 1.072350311724843 (0.000402869% change) linmin: converged after 5 iterations. iteration 12: trace = 1.072348215271241 (0.000195501% change) linmin: converged after 4 iterations. iteration 13: trace = 1.072347360434731 (7.97163e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.072346902122047 (4.27392e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 1.072346623483659 (2.5984e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.072346159275199 (4.3289e-05% change) large trace change predicted (0.000101681%) linmin: converged after 5 iterations. iteration 17: trace = 1.072345068890038 (0.000101682% change) linmin: converged after 5 iterations. iteration 18: trace = 1.072342995658238 (0.000193336% change) linmin: converged after 6 iterations. iteration 19: trace = 1.072339903829155 (0.000288325% change) linmin: converged after 5 iterations. iteration 20: trace = 1.072336586509769 (0.000309354% change) linmin: converged after 7 iterations. iteration 21: trace = 1.072331067849422 (0.00051464% change) linmin: converged after 5 iterations. iteration 22: trace = 1.07232082224701 (0.000955456% change) linmin: converged after 5 iterations. iteration 23: trace = 1.072308842030553 (0.00111723% change) linmin: converged after 4 iterations. iteration 24: trace = 1.072300271286768 (0.000799283% change) linmin: converged after 4 iterations. iteration 25: trace = 1.072297170565835 (0.000289166% change) linmin: converged after 3 iterations. iteration 26: trace = 1.072296311606893 (8.01046e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.072296078653345 (2.17247e-05% change) linmin: converged after 3 iterations. iteration 28: trace = 1.072296014168777 (6.01369e-06% change) linmin: converged after 24 iterations. iteration 29: trace = 1.072295982383621 (2.96421e-06% change) linmin: converged after 15 iterations. iteration 30: trace = 1.072295961925376 (1.90789e-06% change) linmin: converged after 7 iterations. iteration 31: trace = 1.072295950654601 (1.05109e-06% change) linmin: converged after 3 iterations. iteration 32: trace = 1.072295945180989 (5.10457e-07% change) linmin: converged after 3 iterations. iteration 33: trace = 1.072295942506052 (2.49459e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.072295940839705 (1.554e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.072295940001716 (7.8149e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.072295939666597 (3.12525e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.072295939534582 (1.23115e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.072295939489791 (4.17712e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.072295939475879 (1.29736e-09% change) linmin: converged after 2 iterations. iteration 40: trace = 1.072295939471375 (4.2005e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.072295939468839 (2.36479e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.072295939464564 (3.987e-10% change) large trace change predicted (1.11332e-09%) linmin: converged after 2 iterations. iteration 43: trace = 1.072295939452623 (1.1136e-09% change) large trace change predicted (2.51363e-09%) linmin: converged after 2 iterations. iteration 44: trace = 1.072295939425672 (2.5134e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 1.072295939386053 (3.69472e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 1.072295939340153 (4.28055e-09% change) linmin: converged after 2 iterations. iteration 47: trace = 1.072295939279222 (5.68236e-09% change) linmin: converged after 3 iterations. iteration 48: trace = 1.072295939194636 (7.88826e-09% change) linmin: converged after 14 iterations. iteration 49: trace = 1.072295939101619 (8.67454e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 1.072295939034332 (6.27509e-09% change) linmin: converged after 2 iterations. iteration 51: trace = 1.072295939004893 (2.74541e-09% change) linmin: converged after 3 iterations. iteration 52: trace = 1.072295938995445 (8.81141e-10% change) linmin: converged after 9 iterations. iteration 53: trace = 1.072295938992633 (2.62197e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 1.072295938991753 (8.20841e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 22, 0.05, 0.55, 0.5, 1.00499, 0.381309, 0.382411, 0.495948, 0.497425, 0.535972 elapsed time for k point: 0.40665388107299805 solve_kpoint (0.1,0.6,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.073401218506954 (0.802321% change) linmin: converged after 5 iterations. iteration 2: trace = 1.070911358186742 (0.232229% change) linmin: converged after 4 iterations. iteration 3: trace = 1.069941901356453 (0.0905673% change) linmin: converged after 4 iterations. iteration 4: trace = 1.069553512469482 (0.0363066% change) linmin: converged after 4 iterations. iteration 5: trace = 1.069331087282139 (0.0207982% change) linmin: converged after 4 iterations. iteration 6: trace = 1.069162619782136 (0.0157557% change) linmin: converged after 4 iterations. iteration 7: trace = 1.06905313998237 (0.0102403% change) linmin: converged after 4 iterations. iteration 8: trace = 1.069016273147659 (0.00344861% change) linmin: converged after 4 iterations. iteration 9: trace = 1.068993109651654 (0.00216683% change) linmin: converged after 4 iterations. iteration 10: trace = 1.068984047122717 (0.000847767% change) linmin: converged after 4 iterations. iteration 11: trace = 1.06897880030921 (0.000490824% change) linmin: converged after 4 iterations. iteration 12: trace = 1.068976671400316 (0.000199154% change) linmin: converged after 4 iterations. iteration 13: trace = 1.068976061675412 (5.70382e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.068975835503111 (2.11578e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.068975752616184 (7.75386e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.068975691300615 (5.73592e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 1.068975611585199 (7.45718e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 1.068975504394132 (1.00275e-05% change) linmin: converged after 13 iterations. iteration 19: trace = 1.068975371946158 (1.23902e-05% change) linmin: converged after 15 iterations. iteration 20: trace = 1.068975238400153 (1.24929e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.06897500900797 (2.14591e-05% change) large trace change predicted (5.31033e-05%) linmin: converged after 4 iterations. iteration 22: trace = 1.06897444137869 (5.31003e-05% change) large trace change predicted (0.000113315%) linmin: converged after 3 iterations. iteration 23: trace = 1.068973230351379 (0.000113289% change) linmin: converged after 6 iterations. iteration 24: trace = 1.06897161225228 (0.00015137% change) linmin: converged after 6 iterations. iteration 25: trace = 1.068970673722614 (8.77975e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.068970296062492 (3.53293e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.068970144206493 (1.42058e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 1.068970064617742 (7.44537e-06% change) linmin: converged after 8 iterations. iteration 29: trace = 1.068970000607836 (5.988e-06% change) linmin: converged after 16 iterations. iteration 30: trace = 1.068969962460986 (3.56856e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.068969945599901 (1.57732e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.068969938463749 (6.67573e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.068969934705131 (3.51611e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.068969932325581 (2.22602e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.068969931392087 (8.73265e-08% change) linmin: converged after 4 iterations. iteration 36: trace = 1.068969931132231 (2.4309e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.068969931062231 (6.54836e-09% change) linmin: converged after 2 iterations. iteration 38: trace = 1.068969931043933 (1.71176e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 1.068969931038534 (5.05088e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.06896993103669 (1.72489e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 1.068969931035931 (7.09773e-11% change) Finished solving for bands 1 to 5 after 41 iterations. freqs:, 23, 0.1, 0.6, 0.5, 1.0198, 0.384516, 0.385642, 0.497116, 0.498376, 0.526207 elapsed time for k point: 0.3205287456512451 solve_kpoint (0.15,0.65,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07210087104172 (0.745891% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069747625154363 (0.21974% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068703623581534 (0.0976409% change) linmin: converged after 4 iterations. iteration 4: trace = 1.06787537155338 (0.0775307% change) linmin: converged after 4 iterations. iteration 5: trace = 1.067259421669873 (0.0576966% change) linmin: converged after 5 iterations. iteration 6: trace = 1.066744514113844 (0.0482574% change) linmin: converged after 4 iterations. iteration 7: trace = 1.066542840030842 (0.0189074% change) linmin: converged after 4 iterations. iteration 8: trace = 1.066494016835053 (0.00457781% change) linmin: converged after 4 iterations. iteration 9: trace = 1.066464593745213 (0.0027589% change) linmin: converged after 4 iterations. iteration 10: trace = 1.066451587651854 (0.00121956% change) linmin: converged after 4 iterations. iteration 11: trace = 1.066443672010177 (0.000742244% change) linmin: converged after 4 iterations. iteration 12: trace = 1.066440721230631 (0.000276694% change) linmin: converged after 4 iterations. iteration 13: trace = 1.066439849497521 (8.17423e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.066439375236251 (4.44715e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.066439009933316 (3.42545e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.066438547210227 (4.33896e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 1.066438083387294 (4.34927e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.066437660409854 (3.96626e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 1.066437091992715 (5.33006e-05% change) linmin: converged after 6 iterations. iteration 20: trace = 1.066436003254613 (0.000102091% change) large trace change predicted (0.000276028%) linmin: converged after 5 iterations. iteration 21: trace = 1.06643306101055 (0.000275895% change) linmin: converged after 3 iterations. iteration 22: trace = 1.066427934770839 (0.000480691% change) linmin: converged after 5 iterations. iteration 23: trace = 1.06642432669396 (0.000338334% change) linmin: converged after 13 iterations. iteration 24: trace = 1.066422960619856 (0.000128099% change) linmin: converged after 4 iterations. iteration 25: trace = 1.066422499826517 (4.32093e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 1.066422186812465 (2.93518e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 1.06642189052926 (2.77829e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 1.066421685763602 (1.92012e-05% change) linmin: converged after 15 iterations. iteration 29: trace = 1.066421590549711 (8.92835e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.066421557709065 (3.07952e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.066421543618788 (1.32127e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.066421537040994 (6.1681e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.06642153395643 (2.89244e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.066421532545999 (1.32258e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.066421532098645 (4.19491e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.066421531981016 (1.10303e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.066421531947826 (3.11233e-09% change) linmin: converged after 4 iterations. iteration 38: trace = 1.066421531934552 (1.24475e-09% change) linmin: converged after 3 iterations. iteration 39: trace = 1.066421531923714 (1.01625e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.066421531913866 (9.23432e-10% change) linmin: converged after 5 iterations. iteration 41: trace = 1.066421531908594 (4.94427e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.066421531906733 (1.74505e-10% change) linmin: converged after 6 iterations. iteration 43: trace = 1.06642153190616 (5.37402e-11% change) Finished solving for bands 1 to 5 after 43 iterations. freqs:, 24, 0.15, 0.65, 0.5, 1.04403, 0.388899, 0.39006, 0.495493, 0.496211, 0.520859 elapsed time for k point: 0.33727550506591797 solve_kpoint (0.2,0.7,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.069785773582439 (0.695776% change) linmin: converged after 4 iterations. iteration 2: trace = 1.067527570063895 (0.211312% change) linmin: converged after 4 iterations. iteration 3: trace = 1.066558947063649 (0.0907764% change) linmin: converged after 4 iterations. iteration 4: trace = 1.065685964046792 (0.0818839% change) linmin: converged after 4 iterations. iteration 5: trace = 1.065178396934747 (0.0476396% change) linmin: converged after 4 iterations. iteration 6: trace = 1.064838989620205 (0.031869% change) linmin: converged after 4 iterations. iteration 7: trace = 1.064736335048867 (0.00964085% change) linmin: converged after 4 iterations. iteration 8: trace = 1.064718062404295 (0.00171618% change) linmin: converged after 4 iterations. iteration 9: trace = 1.064709443693912 (0.000809486% change) linmin: converged after 4 iterations. iteration 10: trace = 1.064705784333718 (0.000343696% change) linmin: converged after 6 iterations. iteration 11: trace = 1.064703064045394 (0.000255497% change) linmin: converged after 4 iterations. iteration 12: trace = 1.064701652732799 (0.000132555% change) linmin: converged after 4 iterations. iteration 13: trace = 1.06470118218853 (4.4195e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.064700943603852 (2.24086e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.064700802693302 (1.32348e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 1.064700694078543 (1.02014e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 1.064700636606554 (5.39795e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 1.064700617115639 (1.83065e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.064700610391738 (6.3153e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 1.064700607863227 (2.37486e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 1.064700605633887 (2.09387e-07% change) large trace change predicted (4.79923e-07%) linmin: converged after 2 iterations. iteration 22: trace = 1.064700600524144 (4.79923e-07% change) large trace change predicted (1.42414e-06%) linmin: converged after 12 iterations. iteration 23: trace = 1.064700585361344 (1.42414e-06% change) large trace change predicted (2.9795e-06%) linmin: converged after 3 iterations. iteration 24: trace = 1.064700553639115 (2.97945e-06% change) linmin: converged after 20 iterations. iteration 25: trace = 1.06470052678614 (2.52212e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.064700508730731 (1.69582e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.064700490073184 (1.75238e-06% change) linmin: converged after 24 iterations. iteration 28: trace = 1.064700466708129 (2.19452e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 1.064700446691999 (1.87998e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 1.064700438159564 (8.01393e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 1.064700434712853 (3.23726e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 1.064700432935417 (1.66942e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 1.064700431874728 (9.96233e-08% change) linmin: converged after 3 iterations. iteration 34: trace = 1.064700431313315 (5.27297e-08% change) linmin: converged after 2 iterations. iteration 35: trace = 1.064700431122884 (1.78859e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 1.064700431069199 (5.04225e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 1.064700431049591 (1.84159e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 1.064700431037441 (1.14119e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 1.064700431026596 (1.01859e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 1.064700431020414 (5.80648e-10% change) linmin: converged after 6 iterations. iteration 41: trace = 1.064700431018627 (1.67863e-10% change) linmin: converged after 2 iterations. iteration 42: trace = 1.064700431018219 (3.82692e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 25, 0.2, 0.7, 0.5, 1.07703, 0.392891, 0.394091, 0.490499, 0.490808, 0.523019 elapsed time for k point: 0.35031700134277344 solve_kpoint (0.25,0.75,0.5): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.07102135025323 (0.625217% change) linmin: converged after 4 iterations. iteration 2: trace = 1.069008626705355 (0.188102% change) linmin: converged after 4 iterations. iteration 3: trace = 1.068158244968759 (0.0795803% change) linmin: converged after 4 iterations. iteration 4: trace = 1.067197593263683 (0.0899758% change) linmin: converged after 4 iterations. iteration 5: trace = 1.066544127991008 (0.0612506% change) linmin: converged after 5 iterations. iteration 6: trace = 1.065958659747478 (0.054909% change) linmin: converged after 4 iterations. iteration 7: trace = 1.065750318740433 (0.0195469% change) linmin: converged after 4 iterations. iteration 8: trace = 1.065675510628551 (0.00701954% change) linmin: converged after 4 iterations. iteration 9: trace = 1.065611170312027 (0.0060377% change) linmin: converged after 4 iterations. iteration 10: trace = 1.065570512593531 (0.00381551% change) linmin: converged after 4 iterations. iteration 11: trace = 1.065544557362741 (0.00243584% change) linmin: converged after 4 iterations. iteration 12: trace = 1.065536856806759 (0.00072269% change) linmin: converged after 4 iterations. iteration 13: trace = 1.065534821684941 (0.000190995% change) linmin: converged after 4 iterations. iteration 14: trace = 1.06553386588685 (8.97013e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.065533310006943 (5.21692e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 1.065532898639761 (3.86067e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.065532683273434 (2.02121e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 1.065532562793897 (1.1307e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 1.06553241194823 (1.41568e-05% change) large trace change predicted (2.83328e-05%) linmin: converged after 5 iterations. iteration 20: trace = 1.065532110048137 (2.83333e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.065531537829716 (5.37026e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.065530957301291 (5.44825e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 1.065530503251296 (4.26126e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.065529848637876 (6.14355e-05% change) large trace change predicted (0.000173392%) linmin: converged after 7 iterations. iteration 25: trace = 1.065528002339836 (0.000173275% change) large trace change predicted (0.000909711%) linmin: converged after 4 iterations. iteration 26: trace = 1.065518574727253 (0.000884787% change) large trace change predicted (0.00393925%) linmin: converged after 8 iterations. iteration 27: trace = 1.065486645930534 (0.00299659% change) linmin: converged after 7 iterations. iteration 28: trace = 1.065452554312377 (0.00319968% change) linmin: converged after 15 iterations. iteration 29: trace = 1.065430694062877 (0.00205175% change) linmin: converged after 4 iterations. iteration 30: trace = 1.065419520873003 (0.00104871% change) linmin: converged after 4 iterations. iteration 31: trace = 1.065412511941131 (0.000657859% change) linmin: converged after 4 iterations. iteration 32: trace = 1.065407624927191 (0.000458698% change) linmin: converged after 4 iterations. iteration 33: trace = 1.065405106256101 (0.000236405% change) linmin: converged after 4 iterations. iteration 34: trace = 1.065404017239764 (0.000102216% change) linmin: converged after 7 iterations. iteration 35: trace = 1.065403611191079 (3.81122e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.065403441828039 (1.58966e-05% change) linmin: converged after 3 iterations. iteration 37: trace = 1.065403323931502 (1.10659e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 1.065403209114892 (1.07768e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 1.065403107364856 (9.55038e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.065403054387149 (4.97255e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.065403036014426 (1.72449e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.065403029074995 (6.51343e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 1.065403024643697 (4.15927e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 1.065403021191505 (3.24027e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 1.065403018975985 (2.07951e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 1.065403018005738 (9.10685e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 1.065403017543515 (4.33848e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 1.065403017076432 (4.3841e-08% change) large trace change predicted (8.98844e-08%) linmin: converged after 2 iterations. iteration 49: trace = 1.065403016118797 (8.98848e-08% change) large trace change predicted (2.34693e-07%) linmin: converged after 2 iterations. iteration 50: trace = 1.065403013618366 (2.34693e-07% change) large trace change predicted (5.60917e-07%) linmin: converged after 3 iterations. iteration 51: trace = 1.065403007642306 (5.6092e-07% change) linmin: converged after 17 iterations. iteration 52: trace = 1.065402998322922 (8.74729e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 1.065402986266862 (1.1316e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 1.065402969178449 (1.60394e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 1.065402943674205 (2.39386e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 1.065402909801809 (3.1793e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 1.0654028805448 (2.7461e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 1.065402867306225 (1.24259e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 1.065402862588771 (4.42786e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 1.065402860542757 (1.92041e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 1.065402859235994 (1.22654e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 1.065402858140702 (1.02805e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 1.065402857385879 (7.08485e-08% change) linmin: converged after 2 iterations. iteration 64: trace = 1.065402857037139 (3.27332e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 1.065402856879915 (1.47573e-08% change) linmin: converged after 12 iterations. iteration 66: trace = 1.065402856783426 (9.05656e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 1.06540285669882 (7.94121e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.065402856628581 (6.59277e-09% change) linmin: converged after 5 iterations. iteration 69: trace = 1.065402856591345 (3.49495e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.065402856578412 (1.21395e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 1.065402856572634 (5.42293e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.065402856570871 (1.65481e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 1.065402856570094 (7.29448e-11% change) Finished solving for bands 1 to 5 after 73 iterations. freqs:, 26, 0.25, 0.75, 0.5, 1.11803, 0.394551, 0.395772, 0.487945, 0.488132, 0.526056 elapsed time for k point: 0.9792416095733643 solve_kpoint (0.275,0.75,0.475): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.065652986634801 (0.504169% change) linmin: converged after 5 iterations. iteration 2: trace = 1.063445114738671 (0.2074% change) linmin: converged after 4 iterations. iteration 3: trace = 1.062314064658214 (0.106414% change) linmin: converged after 5 iterations. iteration 4: trace = 1.060800078337779 (0.142619% change) linmin: converged after 5 iterations. iteration 5: trace = 1.059864885140574 (0.0881981% change) linmin: converged after 5 iterations. iteration 6: trace = 1.058934077527141 (0.0878618% change) linmin: converged after 4 iterations. iteration 7: trace = 1.058590167425031 (0.0324823% change) linmin: converged after 4 iterations. iteration 8: trace = 1.058340293631423 (0.0236072% change) linmin: converged after 5 iterations. iteration 9: trace = 1.058044369944337 (0.027965% change) linmin: converged after 4 iterations. iteration 10: trace = 1.057844196498605 (0.018921% change) linmin: converged after 4 iterations. iteration 11: trace = 1.057733299053829 (0.0104839% change) linmin: converged after 4 iterations. iteration 12: trace = 1.05768688610645 (0.00438806% change) linmin: converged after 4 iterations. iteration 13: trace = 1.057643718296448 (0.00408142% change) linmin: converged after 4 iterations. iteration 14: trace = 1.057601094515691 (0.00403015% change) linmin: converged after 4 iterations. iteration 15: trace = 1.057574169318424 (0.00254591% change) linmin: converged after 4 iterations. iteration 16: trace = 1.057560843562136 (0.00126004% change) linmin: converged after 4 iterations. iteration 17: trace = 1.057554897779985 (0.000562218% change) linmin: converged after 4 iterations. iteration 18: trace = 1.057550493140094 (0.000416494% change) linmin: converged after 5 iterations. iteration 19: trace = 1.0575476220046 (0.00027149% change) linmin: converged after 5 iterations. iteration 20: trace = 1.057546213280055 (0.000133207% change) linmin: converged after 5 iterations. iteration 21: trace = 1.057545647266149 (5.35214e-05% change) linmin: converged after 4 iterations. iteration 22: trace = 1.057545445060972 (1.91202e-05% change) linmin: converged after 4 iterations. iteration 23: trace = 1.05754534645965 (9.3236e-06% change) linmin: converged after 16 iterations. iteration 24: trace = 1.057545294682108 (4.89601e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.057545271741688 (2.16921e-06% change) linmin: converged after 2 iterations. iteration 26: trace = 1.057545262910941 (8.35023e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.057545260634137 (2.15291e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.057545259834002 (7.56597e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.057545259398525 (4.11781e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 1.05754525910819 (2.74536e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.057545258933646 (1.65047e-08% change) linmin: converged after 4 iterations. iteration 32: trace = 1.057545258873737 (5.66485e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.057545258854841 (1.78684e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.057545258846103 (8.26181e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 1.057545258839637 (6.11473e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 1.057545258833266 (6.02382e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.05754525882868 (4.33677e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 1.0575452588261 (2.43934e-10% change) linmin: converged after 2 iterations. iteration 39: trace = 1.057545258824424 (1.58501e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 1.05754525882298 (1.36559e-10% change) linmin: converged after 3 iterations. iteration 41: trace = 1.057545258821918 (1.00446e-10% change) linmin: converged after 3 iterations. iteration 42: trace = 1.057545258821419 (4.71365e-11% change) Finished solving for bands 1 to 5 after 42 iterations. freqs:, 27, 0.275, 0.75, 0.475, 1.09772, 0.391745, 0.39651, 0.484446, 0.491809, 0.5199 elapsed time for k point: 0.6573624610900879 solve_kpoint (0.3,0.75,0.45): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.051264386853347 (0.453577% change) linmin: converged after 4 iterations. iteration 2: trace = 1.049735266940344 (0.145561% change) linmin: converged after 4 iterations. iteration 3: trace = 1.049264550979229 (0.0448515% change) linmin: converged after 4 iterations. iteration 4: trace = 1.048963507822213 (0.028695% change) linmin: converged after 4 iterations. iteration 5: trace = 1.048842772219768 (0.0115107% change) linmin: converged after 4 iterations. iteration 6: trace = 1.048772455329971 (0.00670446% change) linmin: converged after 4 iterations. iteration 7: trace = 1.048748914239769 (0.00224466% change) linmin: converged after 4 iterations. iteration 8: trace = 1.048744582091003 (0.000413079% change) linmin: converged after 5 iterations. iteration 9: trace = 1.048741973701245 (0.000248716% change) linmin: converged after 4 iterations. iteration 10: trace = 1.048740250692929 (0.000164293% change) linmin: converged after 5 iterations. iteration 11: trace = 1.048738772995067 (0.000140902% change) linmin: converged after 5 iterations. iteration 12: trace = 1.048738138397404 (6.05106e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.048737951057083 (1.78634e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.048737879547407 (6.81864e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.048737847303642 (3.07453e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.048737823461936 (2.27337e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.048737805857724 (1.67861e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.048737790475252 (1.46676e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 1.048737774176588 (1.55412e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 1.048737760567202 (1.29769e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.04873775188753 (8.2763e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 1.048737748311007 (3.41031e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 1.048737746988585 (1.26097e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04873774641459 (5.4732e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.048737746162668 (2.40215e-08% change) linmin: converged after 2 iterations. iteration 26: trace = 1.048737746020623 (1.35444e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 1.048737745965866 (5.22115e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 1.048737745951454 (1.37423e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 1.048737745947921 (3.36877e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 1.048737745947218 (6.70535e-11% change) Finished solving for bands 1 to 5 after 30 iterations. freqs:, 28, 0.3, 0.75, 0.45, 1.08167, 0.387217, 0.396766, 0.481876, 0.494898, 0.514052 elapsed time for k point: 0.26168179512023926 solve_kpoint (0.325,0.75,0.425): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.043730320367076 (0.402906% change) linmin: converged after 4 iterations. iteration 2: trace = 1.042615065363816 (0.10691% change) linmin: converged after 4 iterations. iteration 3: trace = 1.042310395155777 (0.029226% change) linmin: converged after 4 iterations. iteration 4: trace = 1.042172278533015 (0.0132519% change) linmin: converged after 4 iterations. iteration 5: trace = 1.042115497545387 (0.00544848% change) linmin: converged after 4 iterations. iteration 6: trace = 1.042085473330465 (0.00288112% change) linmin: converged after 4 iterations. iteration 7: trace = 1.042070524368616 (0.00143453% change) linmin: converged after 4 iterations. iteration 8: trace = 1.042066548612395 (0.000381525% change) linmin: converged after 4 iterations. iteration 9: trace = 1.04206288704744 (0.000351376% change) linmin: converged after 5 iterations. iteration 10: trace = 1.042059736967639 (0.000302293% change) linmin: converged after 4 iterations. iteration 11: trace = 1.042056939339058 (0.000268471% change) linmin: converged after 5 iterations. iteration 12: trace = 1.042055775662505 (0.000111671% change) linmin: converged after 5 iterations. iteration 13: trace = 1.042055457699164 (3.05131e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 1.042055355980333 (9.76136e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.042055322293884 (3.23269e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.04205530254784 (1.89491e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.042055285398356 (1.64574e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.042055265630027 (1.89705e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 1.042055241138577 (2.3503e-06% change) linmin: converged after 24 iterations. iteration 20: trace = 1.042055220583108 (1.97259e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.042055207018138 (1.30175e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 1.042055201090034 (5.68886e-07% change) linmin: converged after 28 iterations. iteration 23: trace = 1.042055199094496 (1.915e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.04205519837725 (6.88299e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 1.042055198125168 (2.41909e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.042055197991547 (1.28228e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.042055197924895 (6.39625e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.04205519790092 (2.30075e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 1.042055197891545 (8.99638e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 1.042055197887335 (4.04006e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.042055197884501 (2.71937e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.04205519788275 (1.6808e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 1.042055197882125 (5.9919e-11% change) Finished solving for bands 1 to 5 after 33 iterations. freqs:, 29, 0.325, 0.75, 0.425, 1.07005, 0.383285, 0.396393, 0.480245, 0.4979, 0.509391 elapsed time for k point: 0.2797398567199707 solve_kpoint (0.35,0.75,0.4): Solving for bands 1 to 5... linmin: converged after 5 iterations. iteration 1: trace = 1.040583967142476 (0.367529% change) linmin: converged after 4 iterations. iteration 2: trace = 1.039722865444434 (0.082786% change) linmin: converged after 4 iterations. iteration 3: trace = 1.03950165624003 (0.021278% change) linmin: converged after 4 iterations. iteration 4: trace = 1.039430647296617 (0.00683129% change) linmin: converged after 4 iterations. iteration 5: trace = 1.039402550983523 (0.00270308% change) linmin: converged after 5 iterations. iteration 6: trace = 1.039389236782683 (0.00128096% change) linmin: converged after 4 iterations. iteration 7: trace = 1.039377840080219 (0.00109649% change) linmin: converged after 4 iterations. iteration 8: trace = 1.039372508607764 (0.00051295% change) linmin: converged after 4 iterations. iteration 9: trace = 1.039365669584023 (0.000657998% change) linmin: converged after 5 iterations. iteration 10: trace = 1.039358797682128 (0.000661165% change) linmin: converged after 4 iterations. iteration 11: trace = 1.039351522033653 (0.000700016% change) linmin: converged after 5 iterations. iteration 12: trace = 1.039347743030244 (0.000363593% change) linmin: converged after 4 iterations. iteration 13: trace = 1.039346603568429 (0.000109632% change) linmin: converged after 5 iterations. iteration 14: trace = 1.039346252826974 (3.37463e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 1.039346151663282 (9.7334e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 1.039346101166326 (4.85853e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 1.039346056762944 (4.27224e-06% change) linmin: converged after 31 iterations. iteration 18: trace = 1.039346002477097 (5.22308e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 1.039345931774661 (6.80259e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.039345863606865 (6.55872e-06% change) linmin: converged after 14 iterations. iteration 21: trace = 1.039345797360606 (6.37384e-06% change) linmin: converged after 21 iterations. iteration 22: trace = 1.039345749422763 (4.61231e-06% change) linmin: converged after 3 iterations. iteration 23: trace = 1.039345724079952 (2.43834e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 1.039345709972818 (1.35731e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 1.039345701605029 (8.05102e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.039345695151119 (6.20959e-07% change) linmin: converged after 2 iterations. iteration 27: trace = 1.039345691963401 (3.06704e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 1.039345690769051 (1.14914e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.039345690283833 (4.6685e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.039345690103328 (1.73671e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.039345690033778 (6.69177e-09% change) linmin: converged after 2 iterations. iteration 32: trace = 1.039345690011562 (2.13744e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.039345690005514 (5.81888e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 1.039345690002439 (2.95911e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 1.039345689999085 (3.2268e-10% change) linmin: converged after 6 iterations. iteration 36: trace = 1.039345689993938 (4.95258e-10% change) linmin: converged after 15 iterations. iteration 37: trace = 1.039345689988247 (5.47556e-10% change) linmin: converged after 5 iterations. iteration 38: trace = 1.039345689985424 (2.71578e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 1.039345689984557 (8.34473e-11% change) Finished solving for bands 1 to 5 after 39 iterations. freqs:, 30, 0.35, 0.75, 0.4, 1.06301, 0.380687, 0.395955, 0.479389, 0.501411, 0.506376 elapsed time for k point: 0.30940794944763184 solve_kpoint (0.375,0.75,0.375): Solving for bands 1 to 5... linmin: converged after 4 iterations. iteration 1: trace = 1.042607161720726 (0.34652% change) linmin: converged after 4 iterations. iteration 2: trace = 1.041876242539784 (0.0701295% change) linmin: converged after 4 iterations. iteration 3: trace = 1.041689793083082 (0.0178971% change) linmin: converged after 4 iterations. iteration 4: trace = 1.041641147667703 (0.00466997% change) linmin: converged after 4 iterations. iteration 5: trace = 1.041621655682537 (0.00187129% change) linmin: converged after 5 iterations. iteration 6: trace = 1.041610029145236 (0.0011162% change) large trace change predicted (0.0025014%) linmin: converged after 6 iterations. iteration 7: trace = 1.041583957214329 (0.00250307% change) linmin: converged after 7 iterations. iteration 8: trace = 1.041547309522134 (0.00351852% change) large trace change predicted (0.00868818%) linmin: converged after 4 iterations. iteration 9: trace = 1.041457030683444 (0.00866814% change) linmin: converged after 5 iterations. iteration 10: trace = 1.041334060955939 (0.0118082% change) linmin: converged after 5 iterations. iteration 11: trace = 1.041164698683955 (0.0162653% change) linmin: converged after 4 iterations. iteration 12: trace = 1.041009772944854 (0.0148811% change) linmin: converged after 4 iterations. iteration 13: trace = 1.040930951209935 (0.00757195% change) linmin: converged after 3 iterations. iteration 14: trace = 1.040898073108036 (0.00315858% change) linmin: converged after 3 iterations. iteration 15: trace = 1.040888096987886 (0.000958419% change) linmin: converged after 3 iterations. iteration 16: trace = 1.040884173753795 (0.000376913% change) linmin: converged after 3 iterations. iteration 17: trace = 1.040881857294983 (0.000222547% change) linmin: converged after 4 iterations. iteration 18: trace = 1.040880129419306 (0.000166001% change) linmin: converged after 6 iterations. iteration 19: trace = 1.040878846929652 (0.000123212% change) linmin: converged after 6 iterations. iteration 20: trace = 1.040878282104791 (5.42642e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 1.040878051081422 (2.2195e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 1.040877952535579 (9.46757e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.040877913823631 (3.71916e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 1.040877896748253 (1.64048e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 1.04087788840269 (8.01781e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 1.040877879210204 (8.83147e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 1.040877861806173 (1.67205e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 1.040877831116783 (2.94841e-06% change) linmin: converged after 9 iterations. iteration 29: trace = 1.040877780705241 (4.84318e-06% change) linmin: converged after 4 iterations. iteration 30: trace = 1.040877720799236 (5.75534e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 1.040877666373354 (5.22885e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 1.040877636834854 (2.83785e-06% change) linmin: converged after 2 iterations. iteration 33: trace = 1.040877628021553 (8.46718e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 1.040877624968494 (2.93316e-07% change) linmin: converged after 2 iterations. iteration 35: trace = 1.04087762344881 (1.46e-07% change) linmin: converged after 2 iterations. iteration 36: trace = 1.040877622408118 (9.99822e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 1.040877621570122 (8.05085e-08% change) linmin: converged after 2 iterations. iteration 38: trace = 1.040877621105957 (4.45937e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 1.040877620899647 (1.98207e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 1.040877620810261 (8.58759e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 1.04087762076838 (4.0236e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 1.040877620742673 (2.46976e-09% change) linmin: converged after 6 iterations. iteration 43: trace = 1.040877620722479 (1.94012e-09% change) linmin: converged after 2 iterations. iteration 44: trace = 1.040877620697877 (2.36357e-09% change) linmin: converged after 4 iterations. iteration 45: trace = 1.040877620655518 (4.0695e-09% change) large trace change predicted (8.31677e-09%) linmin: converged after 5 iterations. iteration 46: trace = 1.04087762056895 (8.3169e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 1.040877620412684 (1.50129e-08% change) linmin: converged after 6 iterations. iteration 48: trace = 1.040877620260937 (1.45787e-08% change) linmin: converged after 4 iterations. iteration 49: trace = 1.040877620187645 (7.04135e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 1.040877620163346 (2.33449e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 1.040877620156023 (7.03523e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 1.040877620153321 (2.59616e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 1.040877620151859 (1.40389e-10% change) linmin: converged after 6 iterations. iteration 54: trace = 1.040877620150959 (8.65244e-11% change) Finished solving for bands 1 to 5 after 54 iterations. freqs:, 31, 0.375, 0.75, 0.375, 1.06066, 0.379784, 0.395774, 0.479133, 0.505118, 0.505264 Felapsed time for k point: 0.4901161193847656 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.39455107895905434 at Vector3<0.25, 0.75, 0.5> Band 2 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3967658014080591 at Vector3<0.3, 0.75, 0.45> Band 3 range: 0.44237076681729864 at Vector3<0.0, 0.5, 0.0> to 0.5955899630254649 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.44355516512198084 at Vector3<0.0, 0.5, 0.0> to 0.5958191312898843 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.5030135895148895 at Vector3<0.0, 0.6, 0.4> to 0.5958386856926983 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.3967658014080591) to band 3 (0.44237076681729864), 10.869497799550526% total elapsed time for run: 15.605463981628418 done /tmp/meepakjAzV/test_diamond-0: 15.62s /tmp/meepakjAzV/test_epsilon_input_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) read in 32x32x1 epsilon-input-file "/build/reproducible-path/meep-1.29.0/python/tests/data/eps_input_file_test.h5" Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.003114938735961914 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 14 iterations. iteration 1: trace = 15.01049802134615 (194.322% change) linmin: converged after 11 iterations. iteration 2: trace = 6.706692165729402 (76.4722% change) linmin: converged after 7 iterations. iteration 3: trace = 5.931553794724423 (12.2665% change) linmin: converged after 6 iterations. iteration 4: trace = 5.66263534197199 (4.63885% change) linmin: converged after 5 iterations. iteration 5: trace = 5.52737228970616 (2.41757% change) linmin: converged after 7 iterations. iteration 6: trace = 5.47481726468407 (0.955356% change) linmin: converged after 5 iterations. iteration 7: trace = 5.45264771076122 (0.405758% change) linmin: converged after 5 iterations. iteration 8: trace = 5.443329006331453 (0.171049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.437411735012713 (0.108766% change) linmin: converged after 5 iterations. iteration 10: trace = 5.434223793409262 (0.058647% change) linmin: converged after 5 iterations. iteration 11: trace = 5.432629201927889 (0.0293478% change) linmin: converged after 5 iterations. iteration 12: trace = 5.431266964497161 (0.0250782% change) linmin: converged after 4 iterations. iteration 13: trace = 5.430129964014599 (0.0209365% change) linmin: converged after 5 iterations. iteration 14: trace = 5.428352252894501 (0.0327433% change) linmin: converged after 5 iterations. iteration 15: trace = 5.425410096349268 (0.0542145% change) linmin: converged after 5 iterations. iteration 16: trace = 5.421476783206287 (0.0725243% change) linmin: converged after 4 iterations. iteration 17: trace = 5.418133499341883 (0.0616864% change) linmin: converged after 4 iterations. iteration 18: trace = 5.416179004384954 (0.0360797% change) linmin: converged after 4 iterations. iteration 19: trace = 5.415183619213011 (0.0183797% change) linmin: converged after 3 iterations. iteration 20: trace = 5.414790413232867 (0.00726144% change) linmin: converged after 3 iterations. iteration 21: trace = 5.414658533289126 (0.00243558% change) linmin: converged after 4 iterations. iteration 22: trace = 5.414605098261726 (0.000986864% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41457978258746 (0.000467545% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414557159787791 (0.000417814% change) linmin: converged after 4 iterations. iteration 25: trace = 5.414537709366753 (0.000359225% change) linmin: converged after 4 iterations. iteration 26: trace = 5.414526431428378 (0.00020829% change) linmin: converged after 4 iterations. iteration 27: trace = 5.41451605909779 (0.000191565% change) linmin: converged after 4 iterations. iteration 28: trace = 5.414506000595718 (0.000185769% change) linmin: converged after 5 iterations. iteration 29: trace = 5.41449557958566 (0.000192465% change) linmin: converged after 5 iterations. iteration 30: trace = 5.41448635782213 (0.000170316% change) linmin: converged after 5 iterations. iteration 31: trace = 5.414478585160106 (0.000143553% change) linmin: converged after 5 iterations. iteration 32: trace = 5.414473688675684 (9.04332e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414471810062541 (3.46961e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 5.414471116517078 (1.28091e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 5.414470893896504 (4.11158e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 5.414470830684592 (1.16746e-06% change) linmin: converged after 3 iterations. iteration 37: trace = 5.414470802007637 (5.29635e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 5.414470781361689 (3.81311e-07% change) linmin: converged after 4 iterations. iteration 39: trace = 5.414470762077194 (3.56166e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 5.414470741386276 (3.82141e-07% change) linmin: converged after 2 iterations. iteration 41: trace = 5.414470722667651 (3.45715e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 5.414470706127513 (3.0548e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 5.414470693366219 (2.35689e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 5.414470683200175 (1.87757e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 5.414470674912629 (1.53063e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 5.414470669970523 (9.12759e-08% change) linmin: converged after 4 iterations. iteration 47: trace = 5.414470667695273 (4.20217e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 5.414470666815693 (1.6245e-08% change) linmin: converged after 2 iterations. iteration 49: trace = 5.414470666454864 (6.66415e-09% change) linmin: converged after 4 iterations. iteration 50: trace = 5.414470666309406 (2.68647e-09% change) linmin: converged after 3 iterations. iteration 51: trace = 5.414470666257172 (9.64723e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.414470666225634 (5.82466e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 5.414470666199085 (4.90342e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 5.414470666173619 (4.70329e-10% change) linmin: converged after 6 iterations. iteration 55: trace = 5.414470666149859 (4.38818e-10% change) linmin: converged after 3 iterations. iteration 56: trace = 5.414470666128734 (3.90164e-10% change) linmin: converged after 3 iterations. iteration 57: trace = 5.414470666110477 (3.37196e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 5.414470666093905 (3.06062e-10% change) linmin: converged after 2 iterations. iteration 59: trace = 5.41447066608077 (2.42596e-10% change) linmin: converged after 4 iterations. iteration 60: trace = 5.41447066607217 (1.58821e-10% change) linmin: converged after 2 iterations. iteration 61: trace = 5.414470666068269 (7.20619e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 elapsed time for k point: 0.235001802444458 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.414034200818929 (0.770067% change) linmin: converged after 5 iterations. iteration 2: trace = 5.394129086431263 (0.368335% change) linmin: converged after 4 iterations. iteration 3: trace = 5.387838054235908 (0.116695% change) linmin: converged after 5 iterations. iteration 4: trace = 5.38573302126024 (0.0390777% change) linmin: converged after 4 iterations. iteration 5: trace = 5.385123764190084 (0.0113131% change) linmin: converged after 3 iterations. iteration 6: trace = 5.384850308348899 (0.00507812% change) linmin: converged after 5 iterations. iteration 7: trace = 5.384742385265687 (0.00200422% change) linmin: converged after 4 iterations. iteration 8: trace = 5.384707331033515 (0.000650994% change) linmin: converged after 4 iterations. iteration 9: trace = 5.384697125432801 (0.00018953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.384694738826758 (4.4322e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.384693738418337 (1.85787e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.384693341474321 (7.37171e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.384693264290627 (1.43339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.384693236314638 (5.19547e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.384693227539163 (1.62971e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.38469322265734 (9.06611e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.384693220298983 (4.37974e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.384693219444982 (1.58598e-08% change) linmin: converged after 17 iterations. iteration 19: trace = 5.384693219150675 (5.46562e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.384693219100485 (9.32088e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.384693219085565 (2.77075e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.384693219081496 (7.55613e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0879993, 0.552518, 0.748716, 0.762869, 0.888847, 0.992942, 0.998586, 1.07516 elapsed time for k point: 0.09375667572021484 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.35566270802623 (0.460045% change) linmin: converged after 4 iterations. iteration 2: trace = 5.347222135070107 (0.157725% change) linmin: converged after 3 iterations. iteration 3: trace = 5.345410979037556 (0.0338767% change) linmin: converged after 3 iterations. iteration 4: trace = 5.344984997322681 (0.00796943% change) linmin: converged after 3 iterations. iteration 5: trace = 5.34487907677925 (0.0019817% change) linmin: converged after 9 iterations. iteration 6: trace = 5.344849146440742 (0.000559983% change) linmin: converged after 19 iterations. iteration 7: trace = 5.34483511527354 (0.000262518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.344829856084553 (9.83976e-05% change) linmin: converged after 7 iterations. iteration 9: trace = 5.344828194804125 (3.1082e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.344827781913664 (7.72505e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.344827673972557 (2.01954e-06% change) linmin: converged after 21 iterations. iteration 12: trace = 5.344827628371221 (8.53186e-07% change) linmin: converged after 7 iterations. iteration 13: trace = 5.344827617785631 (1.98053e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.34482761452396 (6.10248e-08% change) linmin: converged after 29 iterations. iteration 15: trace = 5.344827613901648 (1.16433e-08% change) linmin: converged after 21 iterations. iteration 16: trace = 5.344827613761418 (2.62366e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.344827613731027 (5.68602e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.344827613719941 (2.0742e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.344827613715934 (7.49783e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.175173, 0.545105, 0.716013, 0.766968, 0.874229, 0.997272, 0.999271, 1.07644 elapsed time for k point: 0.14992141723632812 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.340457320228623 (0.319238% change) linmin: converged after 4 iterations. iteration 2: trace = 5.334738355255368 (0.107145% change) linmin: converged after 3 iterations. iteration 3: trace = 5.333227635064889 (0.0283226% change) linmin: converged after 3 iterations. iteration 4: trace = 5.332794678919415 (0.00811842% change) linmin: converged after 4 iterations. iteration 5: trace = 5.332637699662876 (0.0029437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.332576391911257 (0.00114968% change) linmin: converged after 4 iterations. iteration 7: trace = 5.332547153504841 (0.000548299% change) linmin: converged after 3 iterations. iteration 8: trace = 5.332540332683702 (0.000127909% change) linmin: converged after 3 iterations. iteration 9: trace = 5.332539070811759 (2.36636e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.33253886203948 (3.91506e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.332538810551382 (9.65546e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 5.33253879005739 (3.8432e-07% change) linmin: converged after 8 iterations. iteration 13: trace = 5.332538782348803 (1.44558e-07% change) linmin: converged after 10 iterations. iteration 14: trace = 5.332538778533806 (7.15419e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.332538777162949 (2.57074e-08% change) linmin: converged after 6 iterations. iteration 16: trace = 5.332538776747995 (7.78154e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.332538776643066 (1.96772e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.332538776603643 (7.39286e-10% change) linmin: converged after 10 iterations. iteration 19: trace = 5.332538776587452 (3.03636e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.332538776581439 (1.1276e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.332538776580063 (2.57999e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.260381, 0.525802, 0.677399, 0.772205, 0.858581, 1.00023, 1.01596, 1.07856 elapsed time for k point: 0.15063118934631348 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.363396432905374 (0.284485% change) linmin: converged after 4 iterations. iteration 2: trace = 5.356814965977621 (0.122786% change) linmin: converged after 4 iterations. iteration 3: trace = 5.354076997915648 (0.0511249% change) linmin: converged after 4 iterations. iteration 4: trace = 5.352894701732656 (0.0220846% change) linmin: converged after 4 iterations. iteration 5: trace = 5.35244060041008 (0.00848365% change) linmin: converged after 4 iterations. iteration 6: trace = 5.352259473036305 (0.00338407% change) linmin: converged after 3 iterations. iteration 7: trace = 5.352189105551878 (0.00131473% change) linmin: converged after 4 iterations. iteration 8: trace = 5.352168902977461 (0.000377464% change) linmin: converged after 4 iterations. iteration 9: trace = 5.352160538189612 (0.000156288% change) linmin: converged after 4 iterations. iteration 10: trace = 5.352156103699549 (8.28542e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.352153672779482 (4.54195e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.352152330741616 (2.50747e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.352151885750048 (8.31425e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.352151731938056 (2.87383e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 5.352151681468188 (9.42983e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 5.35215166667883 (2.76325e-07% change) linmin: converged after 7 iterations. iteration 17: trace = 5.352151661664977 (9.36792e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.352151659840975 (3.40798e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.352151659337842 (9.40057e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.352151659154266 (3.42994e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.352151659081804 (1.35389e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.352151659049174 (6.09659e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.352151659038404 (2.01245e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.352151659035269 (5.8563e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.341313, 0.485827, 0.650379, 0.776592, 0.84814, 1.00112, 1.04085, 1.08101 elapsed time for k point: 0.10886430740356445 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.408014214229959 (0.323637% change) linmin: converged after 5 iterations. iteration 2: trace = 5.395953624985706 (0.223262% change) linmin: converged after 5 iterations. iteration 3: trace = 5.388192869996253 (0.143929% change) linmin: converged after 5 iterations. iteration 4: trace = 5.383948420765395 (0.0788042% change) linmin: converged after 4 iterations. iteration 5: trace = 5.382101128031257 (0.034317% change) linmin: converged after 4 iterations. iteration 6: trace = 5.380826833882425 (0.0236793% change) linmin: converged after 4 iterations. iteration 7: trace = 5.379816112031413 (0.0187855% change) linmin: converged after 5 iterations. iteration 8: trace = 5.37889937435071 (0.0170418% change) linmin: converged after 4 iterations. iteration 9: trace = 5.378431618794505 (0.0086965% change) linmin: converged after 4 iterations. iteration 10: trace = 5.37828958778363 (0.00264079% change) linmin: converged after 4 iterations. iteration 11: trace = 5.378238168343272 (0.00095606% change) linmin: converged after 4 iterations. iteration 12: trace = 5.378217538790497 (0.000383575% change) linmin: converged after 4 iterations. iteration 13: trace = 5.378209482090194 (0.000149803% change) linmin: converged after 6 iterations. iteration 14: trace = 5.378206573501588 (5.4081e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 5.378205626014852 (1.76172e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 5.378205300789663 (6.04709e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.378205138261713 (3.02197e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.378205064148518 (1.37803e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 5.378205024912397 (7.29539e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 5.37820500815002 (3.11672e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.378205002382009 (1.07248e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.378204997047543 (9.91867e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 5.378204992784513 (7.92649e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 5.378204989224101 (6.62008e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 5.378204987266803 (3.63932e-08% change) linmin: converged after 24 iterations. iteration 26: trace = 5.37820498656018 (1.31386e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 5.378204986365549 (3.61887e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 5.378204986298534 (1.24606e-09% change) linmin: converged after 10 iterations. iteration 29: trace = 5.378204986252792 (8.50508e-10% change) linmin: converged after 7 iterations. iteration 30: trace = 5.378204986222929 (5.55247e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.378204986206846 (2.99043e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 5.378204986199396 (1.38523e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 5.378204986194199 (9.66258e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.399713, 0.44029, 0.641795, 0.778307, 0.844568, 1.00149, 1.05803, 1.08222 elapsed time for k point: 0.13111042976379395 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.330842291784633 (1.63265% change) linmin: converged after 5 iterations. iteration 2: trace = 5.294046123341276 (0.692641% change) linmin: converged after 4 iterations. iteration 3: trace = 5.284981234196242 (0.171375% change) linmin: converged after 4 iterations. iteration 4: trace = 5.282498119419701 (0.0469954% change) linmin: converged after 4 iterations. iteration 5: trace = 5.281616824738639 (0.0166847% change) linmin: converged after 4 iterations. iteration 6: trace = 5.281190026018594 (0.00808116% change) linmin: converged after 4 iterations. iteration 7: trace = 5.281060361590569 (0.00245524% change) linmin: converged after 4 iterations. iteration 8: trace = 5.281017317052751 (0.000815077% change) linmin: converged after 4 iterations. iteration 9: trace = 5.281001279428567 (0.000303685% change) linmin: converged after 3 iterations. iteration 10: trace = 5.280995051890289 (0.000117924% change) linmin: converged after 10 iterations. iteration 11: trace = 5.280992817488505 (4.23103e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.280991955892316 (1.6315e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.280991779814334 (3.33418e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.280991731376507 (9.17211e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.280991719857134 (2.18129e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.280991716887277 (5.62367e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.280991715662335 (2.31953e-08% change) linmin: converged after 23 iterations. iteration 18: trace = 5.280991715170661 (9.31026e-09% change) linmin: converged after 22 iterations. iteration 19: trace = 5.280991714932148 (4.51643e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.280991714863477 (1.30035e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 5.280991714843207 (3.8383e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.280991714835504 (1.45866e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.280991714829537 (1.12986e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.280991714822687 (1.29704e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.28099171481807 (8.74389e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.410728, 0.444341, 0.636537, 0.78389, 0.839813, 0.968201, 1.03809, 1.08391 elapsed time for k point: 0.09613442420959473 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.134764281906492 (0.624371% change) linmin: converged after 5 iterations. iteration 2: trace = 5.124408367543085 (0.201886% change) linmin: converged after 4 iterations. iteration 3: trace = 5.12235773185049 (0.040025% change) linmin: converged after 3 iterations. iteration 4: trace = 5.12174424238861 (0.0119774% change) linmin: converged after 4 iterations. iteration 5: trace = 5.121558726682936 (0.00362219% change) linmin: converged after 4 iterations. iteration 6: trace = 5.121477742069775 (0.00158126% change) linmin: converged after 4 iterations. iteration 7: trace = 5.12144790474088 (0.000582594% change) linmin: converged after 4 iterations. iteration 8: trace = 5.121439718676669 (0.000159839% change) linmin: converged after 4 iterations. iteration 9: trace = 5.121437287250297 (4.74755e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.121436809310323 (9.33215e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.121436715075807 (1.84e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.121436685510688 (5.77282e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.121436680112647 (1.05401e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.121436678590913 (2.9713e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.121436678180303 (8.01748e-09% change) linmin: converged after 9 iterations. iteration 16: trace = 5.121436678101739 (1.53402e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.121436678082406 (3.77491e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.121436678073879 (1.66504e-10% change) linmin: converged after 6 iterations. iteration 19: trace = 5.121436678060035 (2.70315e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 5.121436678042874 (3.35072e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.121436678033494 (1.83153e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.121436678029978 (6.86584e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.441866, 0.455742, 0.622718, 0.799069, 0.81865, 0.919493, 0.999313, 1.08532 elapsed time for k point: 0.08272933959960938 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.994388823457364 (0.316337% change) linmin: converged after 4 iterations. iteration 2: trace = 4.990236163392892 (0.0831811% change) linmin: converged after 4 iterations. iteration 3: trace = 4.989513812263473 (0.0144763% change) linmin: converged after 5 iterations. iteration 4: trace = 4.989343647120124 (0.00341051% change) linmin: converged after 4 iterations. iteration 5: trace = 4.989291241669541 (0.00105035% change) linmin: converged after 4 iterations. iteration 6: trace = 4.989274244813457 (0.000340667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.989267787671144 (0.000129421% change) linmin: converged after 5 iterations. iteration 8: trace = 4.98926609792218 (3.38677e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.989265604082192 (9.89805e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.989265515601321 (1.77342e-06% change) linmin: converged after 22 iterations. iteration 11: trace = 4.989265501206935 (2.88507e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.989265496708835 (9.01555e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.98926549570401 (2.01397e-08% change) linmin: converged after 4 iterations. iteration 14: trace = 4.989265495448889 (5.1134e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.989265495393171 (1.11674e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 4.989265495383629 (1.91262e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 4.989265495381122 (5.02544e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.472164, 0.488272, 0.604358, 0.769828, 0.821208, 0.893668, 0.95752, 1.08635 elapsed time for k point: 0.06634926795959473 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.909138536841025 (0.232394% change) linmin: converged after 4 iterations. iteration 2: trace = 4.906563118930467 (0.0524755% change) linmin: converged after 4 iterations. iteration 3: trace = 4.906119641576844 (0.00903886% change) linmin: converged after 3 iterations. iteration 4: trace = 4.906037816819474 (0.00166782% change) linmin: converged after 3 iterations. iteration 5: trace = 4.906013084888643 (0.000504113% change) linmin: converged after 10 iterations. iteration 6: trace = 4.906007389591607 (0.000116088% change) linmin: converged after 8 iterations. iteration 7: trace = 4.906005834953523 (3.16885e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.90600540669845 (8.7292e-06% change) linmin: converged after 9 iterations. iteration 9: trace = 4.906005254385182 (3.10463e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.906005216417475 (7.73903e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.906005209418547 (1.4266e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.906005206803108 (5.3311e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.906005206252122 (1.12309e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.906005206142122 (2.24213e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.906005206125057 (3.47848e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.906005206120695 (8.89083e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.488979, 0.542408, 0.586566, 0.707953, 0.84869, 0.885188, 0.917534, 1.08708 elapsed time for k point: 0.06326150894165039 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.880387825183426 (0.204402% change) linmin: converged after 4 iterations. iteration 2: trace = 4.878237626562295 (0.0440677% change) linmin: converged after 4 iterations. iteration 3: trace = 4.877861752868415 (0.00770541% change) linmin: converged after 4 iterations. iteration 4: trace = 4.87779955496193 (0.00127511% change) linmin: converged after 2 iterations. iteration 5: trace = 4.877780932667065 (0.000381777% change) linmin: converged after 4 iterations. iteration 6: trace = 4.877777338735272 (7.36797e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.877776722798983 (1.26274e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.877776610093846 (2.31058e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.877776584075415 (5.33408e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.877776575591743 (1.73925e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.877776573289267 (4.72034e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.877776572070435 (2.49874e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.877776571775751 (6.04136e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 4.877776571718369 (1.17639e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.877776571708921 (1.93704e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.877776571705265 (7.49469e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.497098, 0.578181, 0.578182, 0.668913, 0.878731, 0.883217, 0.88322, 1.08735 elapsed time for k point: 0.05620265007019043 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.939234288026459 (0.398492% change) linmin: converged after 4 iterations. iteration 2: trace = 4.934705211880217 (0.091738% change) linmin: converged after 4 iterations. iteration 3: trace = 4.933808978362583 (0.0181635% change) linmin: converged after 4 iterations. iteration 4: trace = 4.933618724668674 (0.0038562% change) linmin: converged after 4 iterations. iteration 5: trace = 4.933561794539691 (0.00115393% change) linmin: converged after 6 iterations. iteration 6: trace = 4.933546467636372 (0.000310667% change) linmin: converged after 5 iterations. iteration 7: trace = 4.933542429887031 (8.18428e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.933541498295165 (1.88828e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.933541269558869 (4.63635e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.933541218844876 (1.02794e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.933541212739488 (1.23753e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.933541210751458 (4.02962e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 4.9335412103081 (8.98661e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 4.93354121023129 (1.55689e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.93354121021697 (2.9026e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.933541210214663 (4.67714e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.466856, 0.53849, 0.591576, 0.732347, 0.837964, 0.88299, 0.936299, 1.08665 elapsed time for k point: 0.05619359016418457 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.099507112162946 (0.487571% change) linmin: converged after 5 iterations. iteration 2: trace = 5.090581721310536 (0.175178% change) linmin: converged after 4 iterations. iteration 3: trace = 5.088071827630135 (0.0493168% change) linmin: converged after 4 iterations. iteration 4: trace = 5.087225562912054 (0.0166337% change) linmin: converged after 4 iterations. iteration 5: trace = 5.086961938952485 (0.00518221% change) linmin: converged after 4 iterations. iteration 6: trace = 5.086853665324287 (0.00212848% change) linmin: converged after 4 iterations. iteration 7: trace = 5.086807094856582 (0.000915511% change) linmin: converged after 3 iterations. iteration 8: trace = 5.086793518222227 (0.000266899% change) linmin: converged after 3 iterations. iteration 9: trace = 5.086790021445181 (6.87423e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.08678920338145 (1.60821e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.086789045520231 (3.10336e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.086788991806464 (1.05595e-06% change) linmin: converged after 21 iterations. iteration 13: trace = 5.086788981872507 (1.95289e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.086788979939779 (3.79951e-08% change) linmin: converged after 12 iterations. iteration 15: trace = 5.086788979425322 (1.01136e-08% change) linmin: converged after 9 iterations. iteration 16: trace = 5.086788979343622 (1.60614e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.086788979319492 (4.74349e-10% change) linmin: converged after 14 iterations. iteration 18: trace = 5.086788979306892 (2.47712e-10% change) linmin: converged after 8 iterations. iteration 19: trace = 5.086788979301441 (1.07155e-10% change) linmin: converged after 7 iterations. iteration 20: trace = 5.086788979299679 (3.46416e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.365915, 0.534301, 0.628951, 0.8052, 0.817085, 0.882667, 1.0025, 1.08247 elapsed time for k point: 0.07355523109436035 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.309330906730185 (0.847184% change) linmin: converged after 5 iterations. iteration 2: trace = 5.280371277324416 (0.546939% change) linmin: converged after 4 iterations. iteration 3: trace = 5.269934727134918 (0.197844% change) linmin: converged after 4 iterations. iteration 4: trace = 5.265762219365082 (0.0792071% change) linmin: converged after 4 iterations. iteration 5: trace = 5.264459973518648 (0.0247335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.263804604149918 (0.0124497% change) linmin: converged after 3 iterations. iteration 7: trace = 5.263469633537593 (0.00636386% change) linmin: converged after 3 iterations. iteration 8: trace = 5.26332510873088 (0.00274585% change) linmin: converged after 5 iterations. iteration 9: trace = 5.263272539866877 (0.000998782% change) linmin: converged after 3 iterations. iteration 10: trace = 5.263261122021764 (0.000216935% change) linmin: converged after 3 iterations. iteration 11: trace = 5.263257754583083 (6.39801e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.263256795625345 (1.82199e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 5.263256607031204 (3.58322e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 5.263256551248045 (1.05986e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.263256530468793 (3.94798e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 5.263256521693534 (1.66727e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.263256515340482 (1.20706e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.263256513415704 (3.65701e-08% change) linmin: converged after 2 iterations. iteration 19: trace = 5.263256512765325 (1.2357e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.26325651252615 (4.54425e-09% change) linmin: converged after 22 iterations. iteration 21: trace = 5.26325651238184 (2.74183e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.263256512320006 (1.17483e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 5.263256512296805 (4.40811e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.263256512290631 (1.17299e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.263256512288837 (3.40876e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.247333, 0.542781, 0.682198, 0.781369, 0.883491, 0.892769, 1.05714, 1.06602 elapsed time for k point: 0.08718156814575195 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.410850204125079 (1.34359% change) linmin: converged after 5 iterations. iteration 2: trace = 5.374437224940516 (0.675234% change) linmin: converged after 4 iterations. iteration 3: trace = 5.366093703686881 (0.155365% change) linmin: converged after 4 iterations. iteration 4: trace = 5.363891157761086 (0.041054% change) linmin: converged after 3 iterations. iteration 5: trace = 5.363304623244995 (0.0109355% change) linmin: converged after 3 iterations. iteration 6: trace = 5.363093120245416 (0.0039436% change) linmin: converged after 3 iterations. iteration 7: trace = 5.363009973967477 (0.00155035% change) linmin: converged after 5 iterations. iteration 8: trace = 5.362962308859946 (0.000888779% change) linmin: converged after 4 iterations. iteration 9: trace = 5.36292814899808 (0.000636961% change) linmin: converged after 4 iterations. iteration 10: trace = 5.362908167195258 (0.000372592% change) linmin: converged after 5 iterations. iteration 11: trace = 5.36289744556306 (0.000199922% change) linmin: converged after 14 iterations. iteration 12: trace = 5.362890832294543 (0.000123315% change) linmin: converged after 8 iterations. iteration 13: trace = 5.362888873060136 (3.65332e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.362888159902967 (1.3298e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.362887935137225 (4.19113e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 5.362887877004606 (1.08398e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 5.362887858604021 (3.4311e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 5.362887851988768 (1.23352e-07% change) linmin: converged after 7 iterations. iteration 19: trace = 5.362887849877557 (3.93671e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.362887849213481 (1.23828e-08% change) linmin: converged after 18 iterations. iteration 21: trace = 5.362887849013017 (3.73798e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.362887848952664 (1.12538e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.362887848922157 (5.68857e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.362887848904121 (3.36316e-10% change) linmin: converged after 23 iterations. iteration 25: trace = 5.362887848892485 (2.16973e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.3628878488858 (1.24659e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 5.362887848881172 (8.62858e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.124412, 0.55106, 0.736012, 0.76647, 0.888039, 0.959199, 1.0268, 1.07311 elapsed time for k point: 0.09694266319274902 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.461006864438431 (1.06365% change) linmin: converged after 5 iterations. iteration 2: trace = 5.43287145074271 (0.516536% change) linmin: converged after 5 iterations. iteration 3: trace = 5.422688497820124 (0.187608% change) linmin: converged after 5 iterations. iteration 4: trace = 5.417696175353642 (0.092106% change) linmin: converged after 3 iterations. iteration 5: trace = 5.416105680944066 (0.0293617% change) linmin: converged after 4 iterations. iteration 6: trace = 5.415171295312798 (0.0172535% change) linmin: converged after 4 iterations. iteration 7: trace = 5.414783176172479 (0.00716751% change) linmin: converged after 4 iterations. iteration 8: trace = 5.414648244036304 (0.00249195% change) linmin: converged after 4 iterations. iteration 9: trace = 5.414594483994404 (0.000992868% change) linmin: converged after 4 iterations. iteration 10: trace = 5.414576265048869 (0.000336479% change) linmin: converged after 4 iterations. iteration 11: trace = 5.414564861067752 (0.000210617% change) linmin: converged after 5 iterations. iteration 12: trace = 5.414555419969368 (0.000174365% change) linmin: converged after 22 iterations. iteration 13: trace = 5.414537376508164 (0.00033324% change) large trace change predicted (0.000679766%) linmin: converged after 5 iterations. iteration 14: trace = 5.41450055299978 (0.000680088% change) linmin: converged after 6 iterations. iteration 15: trace = 5.414478702493852 (0.000403556% change) linmin: converged after 4 iterations. iteration 16: trace = 5.414472728543198 (0.000110333% change) linmin: converged after 4 iterations. iteration 17: trace = 5.414471330541875 (2.58197e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 5.414470844198777 (8.98228e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 5.414470719354939 (2.30574e-06% change) linmin: converged after 9 iterations. iteration 20: trace = 5.414470681314292 (7.02574e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.414470670480571 (2.00088e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.414470667611987 (5.298e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.414470666661462 (1.75553e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 5.414470666362716 (5.51755e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.414470666267754 (1.75386e-09% change) linmin: converged after 5 iterations. iteration 26: trace = 5.414470666221952 (8.45911e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.414470666193717 (5.21476e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.414470666171711 (4.0642e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.414470666155404 (3.01174e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.414470666140545 (2.74435e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 5.414470666122156 (3.39624e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 5.414470666102801 (3.57471e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.414470666086897 (2.93726e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.414470666075439 (2.11625e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 5.414470666069086 (1.17336e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 5.414470666066693 (4.41918e-11% change) Finished solving for bands 2 to 8 after 36 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.554399, 0.761333, 0.761334, 0.894089, 0.998343, 0.998344, 1.07475 F.elapsed time for k point: 0.10548043251037598 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4970977843772992 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44028964105059654 at Vector3<0.5, 0.0, 0.0> to 0.5781812856814894 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5781815082009817 at Vector3<0.5, 0.5, 0.0> to 0.7613327775255618 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6689126424359764 at Vector3<0.5, 0.5, 0.0> to 0.8051999839699239 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8170847453549143 at Vector3<0.3, 0.3, 0.0> to 0.8940893915924542 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8826671164993851 at Vector3<0.3, 0.3, 0.0> to 1.0014926328155063 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8832199143682118 at Vector3<0.5, 0.5, 0.0> to 1.0580309832489807 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0660233597945281 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.087345829555554 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5781812856814894) to band 3 (0.5781815082009817), 3.848610374769843e-05% Gap from band 4 (0.8051999839699239) to band 5 (0.8170847453549143), 1.4651880980149015% Gap from band 7 (1.0580309832489807) to band 8 (1.0660233597945281), 0.7525585747580559% total elapsed time for run: 1.6578545570373535 done /tmp/meepakjAzV/test_epsilon_input_file-0: 1.66s /tmp/meepakjAzV/test_first_brillouin_zone-0 ======================== /tmp/meepakjAzV/test_first_brillouin_zone-0: 0.10s /tmp/meepakjAzV/test_fractional_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 4 x 4 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.1, 0, 0) (0, 0.1, 0) (0, 0, 1) Cell volume = 0.01 Reciprocal lattice vectors (/ 2 pi): (10, -0, 0) (-0, 10, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 9 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00020051002502441406 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... linmin: converged after 9 iterations. iteration 1: trace = 94.48114237152929 (61.751% change) linmin: converged after 7 iterations. iteration 2: trace = 83.8504910917422 (11.9223% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 51.7857%) iteration 3: trace = 83.3461110942816 (0.603338% change) switching back to exact line minimization iteration 4: trace = 83.3335997859713 (0.0150124% change) linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 51.7857%) iteration 5: trace = 83.33333949083101 (0.000312354% change) iteration 6: trace = 83.33333352467446 (7.15939e-06% change) iteration 7: trace = 83.33333333657133 (2.25724e-07% change) iteration 8: trace = 83.33333333338308 (3.8259e-09% change) iteration 9: trace = 83.33333333333447 (5.83384e-11% change) Finished solving for bands 2 to 8 after 9 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 elapsed time for k point: 0.0010821819305419922 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 82.33333333334657 (0.722248% change) linmin: converged after 2 iterations. iteration 2: trace = 82.33333333333381 (1.54996e-11% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 1, 0.288675, 2.59808, 2.90115, 2.90115, 3.17543, 3.88373, 3.88373, 4.29146 elapsed time for k point: 0.0006232261657714844 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 82.66666666666671 (5.84479e-13% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 2, 0.57735, 2.3094, 2.94392, 2.94392, 3.4641, 3.69685, 3.69685, 4.50925 elapsed time for k point: 0.0001595020294189453 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 84.33333333333334 (5.05524e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 3, 0.866025, 2.02073, 3.01386, 3.01386, 3.52373, 3.52373, 3.75278, 4.73462 elapsed time for k point: 0.00015234947204589844 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. switching to approximate line minimization (decrease time by 54.0541%) iteration 1: trace = 87.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 4, 1.1547, 1.73205, 3.10913, 3.10913, 3.3665, 3.3665, 4.04145, 4.96655 elapsed time for k point: 0.00017642974853515625 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 43 iterations. iteration 1: trace = 91.66666666666667 (4.65083e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 5, 1.44338, 1.44338, 3.22749, 3.22749, 3.22749, 3.22749, 4.33013, 5.20416 elapsed time for k point: 0.0003829002380371094 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. switching to approximate line minimization (decrease time by 70.6897%) iteration 1: trace = 90.66666666672047 (3.571% change) iteration 2: trace = 90.66666699924725 (3.66757e-07% change) iteration 3: trace = 90.66666666666711 (3.66816e-07% change) iteration 4: trace = 90.66666666666673 (4.23191e-13% change) Finished solving for bands 1 to 8 after 4 iterations. tefreqs:, 7, 0.5, 0.1, 0, 5.09902, 1.47196, 1.47196, 2.97209, 2.97209, 3.48807, 3.48807, 4.33974, 5.04975 elapsed time for k point: 0.00035834312438964844 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 91 (9.36979e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 8, 0.5, 0.2, 0, 5.38516, 1.55456, 1.55456, 2.72336, 2.72336, 3.75278, 3.75278, 4.36845, 4.90748 elapsed time for k point: 0.00015473365783691406 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 92.66666666666667 (1.53355e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 9, 0.5, 0.3, 0, 5.83095, 1.68325, 1.68325, 2.48328, 2.48328, 4.02078, 4.02078, 4.41588, 4.77842 elapsed time for k point: 0.0001518726348876953 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 37 iterations. iteration 1: trace = 95.66666666666667 (1.48546e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 6.40312, 1.84842, 1.84842, 2.25462, 2.25462, 4.29146, 4.29146, 4.48144, 4.66369 elapsed time for k point: 0.00032973289489746094 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. switching to approximate line minimization (decrease time by 55.2239%) iteration 1: trace = 100 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 7.07107, 2.04124, 2.04124, 2.04124, 2.04124, 4.56435, 4.56435, 4.56435, 4.56435 elapsed time for k point: 0.0001804828643798828 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 37 iterations. iteration 1: trace = 91.33333333333333 (0% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 12, 0.4, 0.4, 0, 5.65685, 1.63299, 2.08167, 2.08167, 2.44949, 4.20317, 4.20317, 4.39697, 4.39697 elapsed time for k point: 0.0003299713134765625 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 85.33333333333331 (6.66134e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 4.24264, 1.22474, 2.19848, 2.19848, 2.85774, 3.85141, 3.85141, 4.26224, 4.26224 elapsed time for k point: 0.00016427040100097656 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 43 iterations. iteration 1: trace = 82.00000000000003 (3.46606e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 2.82843, 0.816497, 2.38048, 2.38048, 3.26599, 3.51188, 3.51188, 4.16333, 4.16333 elapsed time for k point: 0.0003571510314941406 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 53 iterations. switching to approximate line minimization (decrease time by 89.4389%) iteration 1: trace = 81.33333333333331 (3.49447e-14% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 1.41421, 0.408248, 2.61406, 2.61406, 3.18852, 3.18852, 3.67423, 4.10284, 4.10284 elapsed time for k point: 0.0004057884216308594 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 83.33333333333331 (3.41061e-14% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 2.88675, 2.88675, 2.88675, 2.88675, 4.08248, 4.08248, 4.08248 .elapsed time for k point: 0.0001456737518310547 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 2.0412414523193143 at Vector3<0.5, 0.5, 0.0> Band 2 range: 1.4433756729740652 at Vector3<0.5, 0.0, 0.0> to 2.8867513459481295 at Vector3<0.0, 0.0, 0.0> Band 3 range: 2.041241452319316 at Vector3<0.5, 0.5, 0.0> to 3.227486121839512 at Vector3<0.5, 0.0, 0.0> Band 4 range: 2.0412414523193174 at Vector3<0.5, 0.5, 0.0> to 3.2659863237109064 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 2.886751345948131 at Vector3<0.0, 0.0, 0.0> to 4.564354645876381 at Vector3<0.5, 0.5, 0.0> Band 6 range: 3.2274861218395166 at Vector3<0.5, 0.0, 0.0> to 4.5643546458763815 at Vector3<0.5, 0.5, 0.0> Band 7 range: 3.6968455021364734 at Vector3<0.2, 0.0, 0.0> to 4.564354645876385 at Vector3<0.5, 0.5, 0.0> Band 8 range: 4.082482904638631 at Vector3<0.0, 0.0, 0.0> to 5.204164998665331 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.0057294368743896484 done /tmp/meepakjAzV/test_fractional_lattice-0: 0.01s /tmp/meepakjAzV/test_get_bfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015156269073486328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.16633272171020508 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.44757866859436035 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09541773796081543 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08555412292480469 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1041114330291748 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1555631160736084 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11989927291870117 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.11450338363647461 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.09589004516601562 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.11853265762329102 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.09015583992004395 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0930030345916748 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.10025596618652344 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.14833545684814453 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11931538581848145 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3003382682800293 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.358839988708496 done Fixing b-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepakjAzV/test_get_bfield-0: 2.37s /tmp/meepakjAzV/test_get_dfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001367330551147461 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3020608425140381 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8372828960418701 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1738910675048828 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08275794982910156 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1147146224975586 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15281152725219727 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11529326438903809 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.15311312675476074 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.160780668258667 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.16440176963806152 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12306928634643555 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06208443641662598 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07587003707885742 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1597754955291748 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.23961734771728516 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5391156673431396 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.459266185760498 done Fixing d-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 8.66842 ./tmp/meepakjAzV/test_get_dfield-0: 3.47s /tmp/meepakjAzV/test_get_efield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013577938079833984 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.33438682556152344 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8404760360717773 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1565999984741211 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.11032390594482422 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.16341304779052734 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.32683277130126953 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2362985610961914 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21116018295288086 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0912320613861084 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0925741195678711 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08153867721557617 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0678715705871582 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.10108470916748047 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1277003288269043 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11620545387268066 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.28373146057128906 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.344076633453369 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepakjAzV/test_get_efield-0: 3.35s /tmp/meepakjAzV/test_get_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013511180877685547 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.22710180282592773 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 0.791203 + 0.611554i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -0.804161 + -0.594412i; max ampl. = 4.27896 Fixing h-field (band 4) phase by 0.925589 + 0.37853i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 0.921393 + 0.388632i; max ampl. = 1.75894 Fixing h-field (band 6) phase by -0.798747 + 0.601666i; max ampl. = 3.7555 Fixing h-field (band 7) phase by -0.914893 + 0.403697i; max ampl. = 3.75555 Fixing h-field (band 8) phase by -0.0496898 + 0.998765i; max ampl. = 4.48388 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 5.581244026696292 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490351 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957673 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526859 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966758 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.568412126299268 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.56798196012209 (0.00772541% change) linmin: converged after 3 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607941 (0.00248501% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567469488484445 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.5674314806203 (0.00068268% change) linmin: converged after 4 iterations. iteration 12: trace = 5.567416724766411 (0.000265039% change) linmin: converged after 5 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.567409796393766 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003681 (1.09636e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 5.567408898969306 (5.15562e-06% change) linmin: converged after 6 iterations. iteration 17: trace = 5.56740877689189 (2.19272e-06% change) linmin: converged after 14 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 5.56740870472469 (3.30164e-07% change) linmin: converged after 5 iterations. iteration 20: trace = 5.567408695925265 (1.58052e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 5.567408689562832 (1.1428e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.567408680883109 (1.55902e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567408666017922 (2.67004e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 5.567408645087862 (3.75939e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 5.567408614757096 (5.44791e-07% change) large trace change predicted (2.01092e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502816416 (2.01064e-06% change) near maximum in trace linmin: converged after 15 iterations. iteration 27: trace = 5.566934835523604 (0.00850822% change) linmin: converged after 7 iterations. iteration 28: trace = 5.566934530343008 (5.48202e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.566934225147977 (5.48228e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 5.566933920036067 (5.48079e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.56693361509334 (5.47775e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 5.56693331039379 (5.47338e-06% change) linmin: converged after 8 iterations. iteration 33: trace = 5.566933006000246 (5.46789e-06% change) linmin: converged after 4 iterations. iteration 34: trace = 5.566932701965428 (5.46144e-06% change) linmin: converged after 8 iterations. iteration 35: trace = 5.566932398332735 (5.45422e-06% change) linmin: converged after 8 iterations. iteration 36: trace = 5.566932095137195 (5.44637e-06% change) linmin: converged after 8 iterations. iteration 37: trace = 5.566931792406258 (5.43802e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.566931490160487 (5.42931e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 5.566931188414395 (5.42033e-06% change) linmin: converged after 7 iterations. iteration 40: trace = 5.566930887176978 (5.41119e-06% change) linmin: converged after 7 iterations. iteration 41: trace = 5.566930586452395 (5.40198e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930286240471 (5.39277e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 5.566929986537181 (5.38364e-06% change) linmin: converged after 6 iterations. iteration 44: trace = 5.566929687335154 (5.37463e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 5.56692938862407 (5.36581e-06% change) linmin: converged after 11 iterations. iteration 46: trace = 5.566929090391031 (5.35723e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.56692879262083 (5.34891e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 5.566928495296353 (5.34091e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928198378974 (5.33359e-06% change) linmin: converged after 24 iterations. iteration 50: trace = 5.566927901887999 (5.32594e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 5.566927605763643 (5.31935e-06% change) linmin: converged after 12 iterations. iteration 52: trace = 5.566927310020358 (5.3125e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 5.566927014600721 (5.30669e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 5.566926719511573 (5.30075e-06% change) linmin: converged after 9 iterations. iteration 55: trace = 5.566926424712653 (5.29554e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 5.566926130166101 (5.29101e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.566925835871702 (5.28648e-06% change) linmin: converged after 9 iterations. iteration 58: trace = 5.566925541790937 (5.28264e-06% change) linmin: converged after 10 iterations. iteration 59: trace = 5.566925247897712 (5.27927e-06% change) linmin: converged after 6 iterations. iteration 60: trace = 5.566924954156915 (5.27654e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 5.566924660552115 (5.27409e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 5.566924367064406 (5.27199e-06% change) linmin: converged after 11 iterations. iteration 63: trace = 5.566924073659454 (5.2705e-06% change) linmin: converged after 12 iterations. iteration 64: trace = 5.566923780311137 (5.26949e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 5.566923486988138 (5.26903e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923193675325 (5.26885e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922900337394 (5.2693e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922606953678 (5.27012e-06% change) linmin: converged after 6 iterations. iteration 69: trace = 5.566922313501016 (5.27136e-06% change) resetting CG direction... large trace change predicted (0.0754154%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718699289037 (0.0755391% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516817389784 (0.0575762% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793179139252 (0.0490026% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554012045602661 (0.0500618% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552007094045905 (0.0361057% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550549057842941 (0.0262649% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458397204102 (0.0196515% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474953700598 (0.017723% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115187955224 (0.02451% change) linmin: converged after 4 iterations. iteration 79: trace = 5.545236368598172 (0.0338759% change) linmin: converged after 9 iterations. iteration 80: trace = 5.543229142567636 (0.0362039% change) linmin: converged after 10 iterations. iteration 81: trace = 5.541884517727373 (0.02426% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240187846709 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832178757127 (0.00736341% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632129926411 (0.00361051% change) linmin: converged after 3 iterations. iteration 85: trace = 5.540551229245906 (0.00146015% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517984637142 (0.000600025% change) linmin: converged after 3 iterations. iteration 87: trace = 5.540507595613592 (0.00018751% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503181743341 (7.96655e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522107331 (2.99546e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500790404958 (1.32064e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500268932853 (9.412e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 5.540499832064119 (7.88501e-06% change) linmin: converged after 3 iterations. iteration 93: trace = 5.540499529384537 (5.46304e-06% change) linmin: converged after 8 iterations. iteration 94: trace = 5.540499207175216 (5.81553e-06% change) linmin: converged after 10 iterations. iteration 95: trace = 5.540498785286145 (7.61464e-06% change) linmin: converged after 4 iterations. iteration 96: trace = 5.540498246106514 (9.73161e-06% change) linmin: converged after 4 iterations. iteration 97: trace = 5.540497716467954 (9.5594e-06% change) linmin: converged after 11 iterations. iteration 98: trace = 5.540497530058075 (3.3645e-06% change) linmin: converged after 4 iterations. iteration 99: trace = 5.540497433477556 (1.74317e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 5.540497373258972 (1.08688e-06% change) linmin: converged after 19 iterations. iteration 101: trace = 5.540497321020577 (9.42847e-07% change) linmin: converged after 7 iterations. iteration 102: trace = 5.540497282526125 (6.94783e-07% change) linmin: converged after 19 iterations. iteration 103: trace = 5.540497260437016 (3.98685e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250241875 (1.84011e-07% change) linmin: converged after 7 iterations. iteration 105: trace = 5.540497245841268 (7.94262e-08% change) linmin: converged after 22 iterations. iteration 106: trace = 5.540497244298022 (2.78539e-08% change) linmin: converged after 20 iterations. iteration 107: trace = 5.54049724357753 (1.30041e-08% change) linmin: converged after 17 iterations. iteration 108: trace = 5.540497243251986 (5.87572e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063252 (3.40644e-09% change) linmin: converged after 15 iterations. iteration 110: trace = 5.5404972429578 (1.9033e-09% change) linmin: converged after 9 iterations. iteration 111: trace = 5.540497242914308 (7.84973e-10% change) linmin: converged after 5 iterations. iteration 112: trace = 5.54049724287935 (6.30967e-10% change) linmin: converged after 7 iterations. iteration 113: trace = 5.540497242844003 (6.37972e-10% change) linmin: converged after 4 iterations. iteration 114: trace = 5.540497242790192 (9.71234e-10% change) linmin: converged after 8 iterations. iteration 115: trace = 5.540497242723097 (1.21099e-09% change) linmin: converged after 5 iterations. iteration 116: trace = 5.5404972426584 (1.16771e-09% change) linmin: converged after 21 iterations. iteration 117: trace = 5.540497242618865 (7.13573e-10% change) linmin: converged after 9 iterations. iteration 118: trace = 5.540497242597718 (3.81674e-10% change) linmin: converged after 6 iterations. iteration 119: trace = 5.540497242587055 (1.92464e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 5.540497242581504 (1.00176e-10% change) linmin: converged after 6 iterations. iteration 121: trace = 5.540497242579402 (3.79446e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.49630022048950195 Fixing h-field (band 1) phase by -1 + 2.59125e-07i; max ampl. = 1.02721 Fixing h-field (band 2) phase by -0.999999 + 0.00113246i; max ampl. = 5.09036 Fixing h-field (band 3) phase by 0.000421577 + -1i; max ampl. = 3.73536 Fixing h-field (band 4) phase by -0.000253674 + -1i; max ampl. = 4.23726 Fixing h-field (band 5) phase by -1 + -7.07656e-05i; max ampl. = 1.49733 Fixing h-field (band 6) phase by 0.000414254 + 1i; max ampl. = 3.68915 Fixing h-field (band 7) phase by 2.53933e-05 + 1i; max ampl. = 2.46425 Fixing h-field (band 8) phase by 0.999999 + -0.00135077i; max ampl. = 4.67306 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081904197 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029238665 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358032114 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093774016 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600184 (0.00664425% change) linmin: converged after 4 iterations. iteration 6: trace = 5.499421768472725 (0.00159856% change) linmin: converged after 4 iterations. iteration 7: trace = 5.49939411071745 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903555 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644882 (7.72498e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.499376203354394 (3.5482e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.499375450158939 (1.3696e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.499375151065395 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510659 (2.44673e-06% change) linmin: converged after 25 iterations. iteration 14: trace = 5.499374968565679 (8.71826e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.49937495268447 (2.88782e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.499374947904288 (8.69223e-08% change) linmin: converged after 7 iterations. iteration 17: trace = 5.499374946845077 (1.92606e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.499374946585432 (4.72137e-09% change) linmin: converged after 15 iterations. iteration 19: trace = 5.499374946459587 (2.28835e-09% change) linmin: converged after 16 iterations. iteration 20: trace = 5.499374946407666 (9.44128e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.499374946373184 (6.27012e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.499374946343337 (5.42723e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.499374946309959 (6.06953e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.499374946288361 (3.92733e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.49937494627979 (1.55853e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.499374946276071 (6.76223e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.11646032333374023 Fixing h-field (band 1) phase by 1 + -4.11365e-12i; max ampl. = 1.11365 Fixing h-field (band 2) phase by -1 + 5.201e-09i; max ampl. = 4.92243 Fixing h-field (band 3) phase by -1.10219e-09 + 1i; max ampl. = 2.65638 Fixing h-field (band 4) phase by 2.2004e-08 + -1i; max ampl. = 4.33159 Fixing h-field (band 5) phase by -8.62525e-10 + 1i; max ampl. = 4.52032 Fixing h-field (band 6) phase by -4.01015e-08 + -1i; max ampl. = 3.38228 Fixing h-field (band 7) phase by -1 + -6.37197e-10i; max ampl. = 2.75759 Fixing h-field (band 8) phase by -1 + -3.09712e-06i; max ampl. = 4.29116 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070073415 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.489514109187258 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.48705611194667 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972764 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583154 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149402 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235695 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.48546977263449 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450177 (0.000140848% change) linmin: converged after 5 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.485459325302667 (1.14345e-05% change) linmin: converged after 26 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.485459123224633 (9.57369e-07% change) linmin: converged after 6 iterations. iteration 14: trace = 5.485459100856722 (4.07767e-07% change) linmin: converged after 9 iterations. iteration 15: trace = 5.485459090161544 (1.94973e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 5.485459083892637 (1.14282e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 5.48545908155655 (4.25869e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.48545908063929 (1.67216e-08% change) linmin: converged after 22 iterations. iteration 19: trace = 5.485459080258169 (6.94786e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162864 (1.73741e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.485459080117765 (8.2214e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.485459080098437 (3.5236e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.485459080091234 (1.31313e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.485459080087866 (6.13982e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.190659761428833 Fixing h-field (band 1) phase by 1 + 7.44546e-16i; max ampl. = 1.27437 Fixing h-field (band 2) phase by -1 + -1.25145e-13i; max ampl. = 4.45322 Fixing h-field (band 3) phase by 1 + 2.75073e-13i; max ampl. = 2.62315 Fixing h-field (band 4) phase by 8.09049e-10 + 1i; max ampl. = 4.45542 Fixing h-field (band 5) phase by 1.14858e-13 + -1i; max ampl. = 5.0129 Fixing h-field (band 6) phase by -8.93338e-10 + 1i; max ampl. = 2.79024 Fixing h-field (band 7) phase by 1 + -1.81983e-14i; max ampl. = 2.99991 Fixing h-field (band 8) phase by -1 + 1.50887e-08i; max ampl. = 3.46534 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023686845 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601550851 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987764577 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809282725 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443433401 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742667397 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843728544 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792831476 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084534786 (0.000321712% change) linmin: converged after 4 iterations. iteration 10: trace = 5.504375542715216 (0.000137015% change) linmin: converged after 4 iterations. iteration 11: trace = 5.504370385450914 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323706 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.504364129496819 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098138 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759298 (8.49034e-06% change) linmin: converged after 10 iterations. iteration 16: trace = 5.504362239277654 (3.46056e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.504362167575552 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.504362102222023 (3.57677e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.504362095716725 (1.18184e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.504362093490904 (4.04374e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.504362092750774 (1.34463e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 5.504362092362593 (7.05224e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 5.504362092126029 (4.29775e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 5.504362092030187 (1.74121e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.504362091995301 (6.33786e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.504362091984241 (2.00924e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 5.504362091981037 (5.82183e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.12729167938232422 Fixing h-field (band 1) phase by 1 + 9.1952e-18i; max ampl. = 1.5052 Fixing h-field (band 2) phase by -1 + -1.24699e-14i; max ampl. = 3.59052 Fixing h-field (band 3) phase by -1 + 4.89889e-15i; max ampl. = 3.69829 Fixing h-field (band 4) phase by 7.09972e-12 + -1i; max ampl. = 4.56151 Fixing h-field (band 5) phase by 1.02753e-14 + -1i; max ampl. = 5.08436 Fixing h-field (band 6) phase by 9.2813e-12 + 1i; max ampl. = 1.72494 Fixing h-field (band 7) phase by -1 + -1.59659e-14i; max ampl. = 3.24171 Fixing h-field (band 8) phase by 3.93792e-11 + -1i; max ampl. = 3.16645 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373816362 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679619856 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373176 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343177978 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180043 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600309 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565389 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740501 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.542899533685004 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443202 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714559 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259601 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189773 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693475 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652964 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689267 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647871 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294862 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327792 (2.29283e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 5.538868254295133 (8.84716e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 6 iterations. iteration 22: trace = 5.538867707344394 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530767222 (3.18797e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.53886739246091 (2.49701e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 5.538867282535859 (1.98461e-06% change) linmin: converged after 3 iterations. iteration 26: trace = 5.538867196565556 (1.55213e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.538867107786442 (1.60284e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688868 (2.11411e-06% change) linmin: converged after 3 iterations. iteration 29: trace = 5.538866904155147 (1.5623e-06% change) linmin: converged after 10 iterations. iteration 30: trace = 5.538866877341245 (4.84104e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.538866871036468 (1.13828e-07% change) linmin: converged after 5 iterations. iteration 32: trace = 5.53886686954973 (2.68419e-08% change) linmin: converged after 16 iterations. iteration 33: trace = 5.538866869090199 (8.29648e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 5.538866868884011 (3.72257e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 5.538866868762681 (2.19051e-09% change) linmin: converged after 9 iterations. iteration 36: trace = 5.53886686869315 (1.25533e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641546 (9.31672e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615201 (4.75641e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605639 (1.72637e-10% change) linmin: converged after 6 iterations. iteration 40: trace = 5.538866868600092 (1.00141e-10% change) linmin: converged after 21 iterations. iteration 41: trace = 5.538866868590822 (1.67361e-10% change) linmin: converged after 5 iterations. iteration 42: trace = 5.538866868573498 (3.1277e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559324 (2.55909e-10% change) linmin: converged after 3 iterations. iteration 44: trace = 5.538866868553962 (9.68056e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.17647218704223633 Fixing h-field (band 1) phase by 1 + -8.3688e-17i; max ampl. = 1.38878 Fixing h-field (band 2) phase by 1 + 2.73398e-18i; max ampl. = 3.48407 Fixing h-field (band 3) phase by 1 + 2.92499e-15i; max ampl. = 4.1103 Fixing h-field (band 4) phase by 2.45632e-12 + -1i; max ampl. = 4.60286 Fixing h-field (band 5) phase by -9.60915e-15 + -1i; max ampl. = 4.98821 Fixing h-field (band 6) phase by 1 + -2.31593e-12i; max ampl. = 2.6134 Fixing h-field (band 7) phase by 1 + 1.9262e-14i; max ampl. = 4.2595 Fixing h-field (band 8) phase by 2.44455e-12 + 1i; max ampl. = 3.64602 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.490847033777615 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081945518 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780923792 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.423934922754058 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.42156545108918 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496871733 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757032539 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055600301 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.419861802792744 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109974 (0.000625805% change) linmin: converged after 3 iterations. iteration 11: trace = 5.419810483680911 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901301 (0.000153156% change) linmin: converged after 4 iterations. iteration 13: trace = 5.419798984057772 (5.90214e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.41979814967787 (1.5395e-05% change) linmin: converged after 11 iterations. iteration 15: trace = 5.419797850965186 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322768 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546705 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573499 (1.84014e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.419797735608417 (5.47084e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 5.419797734088984 (2.80349e-08% change) linmin: converged after 21 iterations. iteration 21: trace = 5.419797733507753 (1.07242e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.419797733261658 (4.54066e-09% change) linmin: converged after 11 iterations. iteration 23: trace = 5.419797733151182 (2.0384e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102891 (8.90997e-10% change) linmin: converged after 2 iterations. iteration 25: trace = 5.419797733077007 (4.77586e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.419797733054168 (4.21409e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031984 (4.09298e-10% change) linmin: converged after 5 iterations. iteration 28: trace = 5.41979773301672 (2.81638e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 5.419797733003427 (2.45274e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 5.419797732989453 (2.57827e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 5.419797732973866 (2.87604e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963328 (1.94423e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958387 (9.11646e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.13317561149597168 Fixing h-field (band 1) phase by 1 + -2.73517e-16i; max ampl. = 1.39153 Fixing h-field (band 2) phase by -1 + -6.3175e-13i; max ampl. = 3.54504 Fixing h-field (band 3) phase by 1 + 2.50805e-13i; max ampl. = 3.95334 Fixing h-field (band 4) phase by -8.06083e-13 + 1i; max ampl. = 4.50492 Fixing h-field (band 5) phase by -1.53823e-14 + -1i; max ampl. = 4.84663 Fixing h-field (band 6) phase by -2.83277e-16 + -1i; max ampl. = 1.79067 Fixing h-field (band 7) phase by 2.4431e-13 + 1i; max ampl. = 3.04657 Fixing h-field (band 8) phase by 1 + 1.48863e-12i; max ampl. = 4.1605 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098775 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345183182 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628588963 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571972 (0.0200646% change) linmin: converged after 4 iterations. iteration 5: trace = 5.241214212212872 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880097 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573597 (0.00182765% change) linmin: converged after 4 iterations. iteration 8: trace = 5.24087174159758 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765969 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.240855477877317 (9.17004e-05% change) linmin: converged after 7 iterations. iteration 11: trace = 5.240854364699085 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786505 (6.04696e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.240853968321847 (1.51625e-06% change) linmin: converged after 10 iterations. iteration 14: trace = 5.240853954364835 (2.66312e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.240853950743166 (6.91046e-08% change) linmin: converged after 14 iterations. iteration 16: trace = 5.240853949555026 (2.26707e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.240853949179415 (7.16697e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.240853949031692 (2.81869e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.240853948976929 (1.04493e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.240853948939868 (7.07139e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 5.240853948883504 (1.07549e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.240853948833732 (9.49688e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.240853948802545 (5.95067e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.240853948778208 (4.6437e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.240853948757247 (3.99954e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.24085394874231 (2.85018e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.240853948735854 (1.23189e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 5.240853948733923 (3.68432e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.1006009578704834 Fixing h-field (band 1) phase by 1 + 5.7372e-16i; max ampl. = 1.40192 Fixing h-field (band 2) phase by -1 + 9.3105e-13i; max ampl. = 3.73151 Fixing h-field (band 3) phase by 1 + 6.29261e-13i; max ampl. = 3.50756 Fixing h-field (band 4) phase by -5.25985e-12 + 1i; max ampl. = 4.25492 Fixing h-field (band 5) phase by -7.83279e-15 + 1i; max ampl. = 4.10702 Fixing h-field (band 6) phase by -5.16826e-15 + 1i; max ampl. = 3.1563 Fixing h-field (band 7) phase by 1.72513e-12 + 1i; max ampl. = 3.26912 Fixing h-field (band 8) phase by -1 + -3.37843e-12i; max ampl. = 4.78292 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984913334 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052906 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787866141 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833586 (0.00623852% change) linmin: converged after 5 iterations. iteration 5: trace = 5.09661672198651 (0.00298415% change) linmin: converged after 5 iterations. iteration 6: trace = 5.096573167031523 (0.000854589% change) linmin: converged after 4 iterations. iteration 7: trace = 5.096556387466498 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105120984 (0.000162509% change) linmin: converged after 5 iterations. iteration 9: trace = 5.096545531978203 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143689 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.096544290838739 (9.70167e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.096544277659975 (2.58582e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.096544274637563 (5.93032e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.096544273956442 (1.33644e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.096544273766987 (3.71732e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707483 (1.16754e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672398 (6.88404e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621829 (9.92228e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.096544273547274 (1.46285e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 5.096544273463897 (1.63597e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426185 (7.39936e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.096544273414496 (2.29358e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.096544273410623 (7.59995e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.12325811386108398 Fixing h-field (band 1) phase by -1 + 7.04169e-13i; max ampl. = 4.05119 Fixing h-field (band 2) phase by 1 + -1.57493e-15i; max ampl. = 1.42991 Fixing h-field (band 3) phase by -1 + -8.3309e-13i; max ampl. = 2.78416 Fixing h-field (band 4) phase by -6.94462e-15 + -1i; max ampl. = 2.53227 Fixing h-field (band 5) phase by -5.94331e-12 + 1i; max ampl. = 3.9265 Fixing h-field (band 6) phase by -7.3887e-15 + -1i; max ampl. = 4.52548 Fixing h-field (band 7) phase by -1.34735e-11 + -1i; max ampl. = 3.4739 Fixing h-field (band 8) phase by -1 + 7.4233e-12i; max ampl. = 4.9086 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945910328 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962015 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252272 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190485 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301295 (0.00137859% change) linmin: converged after 3 iterations. iteration 6: trace = 5.006443503180207 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863524 (7.98834e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.006437606345084 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310695 (1.27243e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.006436638672484 (6.60426e-06% change) linmin: converged after 28 iterations. iteration 11: trace = 5.006436539138805 (1.98811e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.006436508297357 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318631 (1.79344e-07% change) linmin: converged after 23 iterations. iteration 14: trace = 5.006436497214725 (4.2024e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812788 (8.02841e-09% change) linmin: converged after 5 iterations. iteration 16: trace = 5.00643649671343 (1.9846e-09% change) linmin: converged after 6 iterations. iteration 17: trace = 5.006436496673627 (7.95033e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 5.006436496632907 (8.13359e-10% change) large trace change predicted (2.20202e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.006436496522667 (2.20196e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.006436496410068 (2.24908e-09% change) linmin: converged after 10 iterations. iteration 21: trace = 5.006436496357244 (1.05513e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.006436496344438 (2.55786e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.006436496341392 (6.08507e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1639084815979004 Fixing h-field (band 1) phase by 1 + -1.79442e-16i; max ampl. = 4.46619 Fixing h-field (band 2) phase by 1 + -4.56205e-12i; max ampl. = 1.51506 Fixing h-field (band 3) phase by 1 + 9.55568e-16i; max ampl. = 1.66014 Fixing h-field (band 4) phase by 1 + -4.82846e-11i; max ampl. = 1.64641 Fixing h-field (band 5) phase by -1.58264e-14 + 1i; max ampl. = 3.54599 Fixing h-field (band 6) phase by -1.90024e-11 + -1i; max ampl. = 4.96988 Fixing h-field (band 7) phase by -2.78168e-14 + 1i; max ampl. = 3.72139 Fixing h-field (band 8) phase by 1 + 9.38093e-14i; max ampl. = 4.85167 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.97899375042192 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350138666 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668872994 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931619 (0.00298359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.97599920536234 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.9759871531917 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125811 (4.0958e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.975984462449321 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964288 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211398 (9.39571e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705353 (3.92004e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.975984271802621 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.97598426749548 (8.65586e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.975984265893696 (5.40348e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819601 (1.48906e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774339 (9.096e-10% change) linmin: converged after 4 iterations. iteration 18: trace = 4.975984265706847 (1.35635e-09% change) large trace change predicted (3.48832e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533269 (3.48832e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 4.975984265426871 (2.13822e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 4.975984265393327 (6.74115e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384496 (1.77476e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381781 (5.45653e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.11291289329528809 Fixing h-field (band 1) phase by 1 + -1.87958e-17i; max ampl. = 4.70977 Fixing h-field (band 2) phase by 1 + 3.02546e-13i; max ampl. = 1.38038 Fixing h-field (band 3) phase by -3.01376e-13 + 1i; max ampl. = 1.85505 Fixing h-field (band 4) phase by 1 + -2.52601e-11i; max ampl. = 1.90199 Fixing h-field (band 5) phase by -1 + -4.64546e-15i; max ampl. = 3.83362 Fixing h-field (band 6) phase by 1.22076e-11 + 1i; max ampl. = 4.82728 Fixing h-field (band 7) phase by -2.07462e-12 + -1i; max ampl. = 5.11981 Fixing h-field (band 8) phase by 1 + 8.40396e-14i; max ampl. = 4.68981 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627902 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841112 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213692 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352593 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 4 iterations. iteration 6: trace = 5.036388281602311 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959927 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251282 (4.77269e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.036378780323872 (1.07603e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.03637856142262 (4.3464e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 5.036378497300829 (1.27317e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.036378484106178 (2.61987e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911196 (6.34381e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128378 (1.55433e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.036378479954632 (3.44983e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.036378479909362 (8.98852e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898018 (2.25238e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.036378479895266 (5.46517e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.08025336265563965 Fixing h-field (band 1) phase by 1 + -4.27711e-17i; max ampl. = 3.59873 Fixing h-field (band 2) phase by 1 + -1.20874e-16i; max ampl. = 3.10702 Fixing h-field (band 3) phase by -8.38065e-10 + -1i; max ampl. = 1.92561 Fixing h-field (band 4) phase by -5.05322e-16 + -1i; max ampl. = 1.49149 Fixing h-field (band 5) phase by -1.83759e-15 + 1i; max ampl. = 3.30734 Fixing h-field (band 6) phase by -4.16721e-11 + -1i; max ampl. = 5.21642 Fixing h-field (band 7) phase by 5.05322e-16 + 1i; max ampl. = 3.66792 Fixing h-field (band 8) phase by 1 + 7.01609e-10i; max ampl. = 4.83365 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352165317 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254329344 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.208582459524669 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191119654 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251347321 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445593 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.206604831487764 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.206579319181517 (0.00049% change) linmin: converged after 4 iterations. iteration 9: trace = 5.206571394211565 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670577 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.20656674144837 (2.07473e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.206566435491533 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737289 (1.95434e-06% change) linmin: converged after 20 iterations. iteration 14: trace = 5.206566313192126 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.206566308082134 (9.81452e-08% change) linmin: converged after 27 iterations. iteration 16: trace = 5.206566306507289 (3.02473e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.206566306040202 (8.97113e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.206566305927631 (2.16209e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900049 (5.29761e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 5.20656630589373 (1.21356e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 5.206566305891688 (3.92353e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07710599899291992 Fixing h-field (band 1) phase by 1 + 1.28137e-17i; max ampl. = 1.81199 Fixing h-field (band 2) phase by -1 + 5.34357e-16i; max ampl. = 4.51433 Fixing h-field (band 3) phase by -5.2077e-10 + 1i; max ampl. = 2.16532 Fixing h-field (band 4) phase by -1.61932e-13 + 1i; max ampl. = 3.56127 Fixing h-field (band 5) phase by -1.67146e-14 + 1i; max ampl. = 2.47045 Fixing h-field (band 6) phase by 5.21701e-09 + 1i; max ampl. = 5.05859 Fixing h-field (band 7) phase by -9.29984e-13 + -1i; max ampl. = 3.23411 Fixing h-field (band 8) phase by 1 + 6.91201e-10i; max ampl. = 4.7734 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756293992 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812739307 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622411479 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356550667 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971023 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855462 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333846 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338574961 (0.00709503% change) linmin: converged after 5 iterations. iteration 9: trace = 5.41726912939794 (0.00376953% change) linmin: converged after 5 iterations. iteration 10: trace = 5.417145557811525 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895446 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907003 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 5.417088991729021 (7.93815e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.417088858207657 (2.46482e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.417088812132402 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744951 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389878 (2.28076e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.417088770680259 (1.054e-07% change) linmin: converged after 5 iterations. iteration 21: trace = 5.417088768321157 (4.35492e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.417088767370204 (1.75547e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 5.41708876692841 (8.15556e-09% change) linmin: converged after 10 iterations. iteration 24: trace = 5.417088766681356 (4.56064e-09% change) linmin: converged after 10 iterations. iteration 25: trace = 5.417088766554598 (2.33997e-09% change) linmin: converged after 10 iterations. iteration 26: trace = 5.417088766462989 (1.69112e-09% change) linmin: converged after 11 iterations. iteration 27: trace = 5.417088766423705 (7.25189e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.417088766412562 (2.05686e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.417088766409225 (6.16157e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10357236862182617 Fixing h-field (band 1) phase by 1 + 1.45835e-16i; max ampl. = 1.2604 Fixing h-field (band 2) phase by -1 + -3.55376e-15i; max ampl. = 4.86397 Fixing h-field (band 3) phase by -7.62302e-11 + 1i; max ampl. = 2.6696 Fixing h-field (band 4) phase by -5.8459e-14 + 1i; max ampl. = 3.93612 Fixing h-field (band 5) phase by 8.36458e-11 + -1i; max ampl. = 4.6489 Fixing h-field (band 6) phase by 8.27688e-15 + -1i; max ampl. = 2.84446 Fixing h-field (band 7) phase by -1 + 4.51329e-15i; max ampl. = 3.74182 Fixing h-field (band 8) phase by -1 + 1.45602e-10i; max ampl. = 4.03853 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178997475 (1.22609% change) linmin: converged after 6 iterations. iteration 2: trace = 5.549498902382941 (0.909518% change) linmin: converged after 6 iterations. iteration 3: trace = 5.534363640711227 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157937 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091515 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.523244061860524 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.52292105521615 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379669 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667835 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.52254069646597 (0.00197377% change) linmin: converged after 4 iterations. iteration 11: trace = 5.522446530191286 (0.00170514% change) linmin: converged after 8 iterations. iteration 12: trace = 5.522358366920831 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118334 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461869 (0.000382933% change) linmin: converged after 5 iterations. iteration 15: trace = 5.522271218168351 (0.000152515% change) linmin: converged after 3 iterations. iteration 16: trace = 5.522268619550511 (4.70571e-05% change) linmin: converged after 14 iterations. iteration 17: trace = 5.52226795829274 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758809014 (3.61235e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 5.522267691563947 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644702 (4.33142e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 5.522267656938316 (1.93877e-07% change) linmin: converged after 6 iterations. iteration 22: trace = 5.522267653032532 (7.07279e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 5.522267650435404 (4.70301e-08% change) linmin: converged after 32 iterations. iteration 24: trace = 5.522267648929526 (2.72692e-08% change) linmin: converged after 24 iterations. iteration 25: trace = 5.522267648122488 (1.46142e-08% change) linmin: converged after 16 iterations. iteration 26: trace = 5.52226764745812 (1.20307e-08% change) linmin: converged after 8 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 16 iterations. iteration 28: trace = 5.5222676462904 (9.63754e-09% change) linmin: converged after 5 iterations. iteration 29: trace = 5.522267645965358 (5.88603e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 5.522267645803391 (2.93299e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.522267645716788 (1.56825e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 5.522267645679249 (6.79773e-10% change) linmin: converged after 2 iterations. iteration 33: trace = 5.522267645667601 (2.10936e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664741 (5.17891e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12050724029541016 Fixing h-field (band 1) phase by 1 + -6.59241e-17i; max ampl. = 1.05606 Fixing h-field (band 2) phase by -1 + 2.71862e-15i; max ampl. = 5.06002 Fixing h-field (band 3) phase by 2.63682e-10 + 1i; max ampl. = 3.59476 Fixing h-field (band 4) phase by -6.12323e-17 + -1i; max ampl. = 4.14887 Fixing h-field (band 5) phase by -1 + -2.57093e-10i; max ampl. = 1.36944 Fixing h-field (band 6) phase by -9.0023e-13 + 1i; max ampl. = 3.24838 Fixing h-field (band 7) phase by 3.18418e-12 + -1i; max ampl. = 2.57459 Fixing h-field (band 8) phase by 1 + -1.48388e-15i; max ampl. = 4.85277 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.62341534369291 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468799225 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.580951640940337 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172742819 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.57161873626484 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107768875 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898397 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.569460656419794 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950425 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401032 (0.00100529% change) linmin: converged after 4 iterations. iteration 11: trace = 5.569256880778756 (0.000593805% change) linmin: converged after 4 iterations. iteration 12: trace = 5.569207664431215 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.56913350253315 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283174022 (0.00806656% change) near maximum in trace linmin: converged after 11 iterations. iteration 15: trace = 5.566399673351522 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541201605374 (0.0154236% change) linmin: converged after 6 iterations. iteration 17: trace = 5.564709388825232 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783784843896 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668008468074 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318637398427 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813630801959 (0.0270657% change) linmin: converged after 4 iterations. iteration 22: trace = 5.558314618236061 (0.0269652% change) linmin: converged after 5 iterations. iteration 23: trace = 5.556960244586609 (0.0243696% change) linmin: converged after 5 iterations. iteration 24: trace = 5.555789586694767 (0.0210687% change) linmin: converged after 6 iterations. iteration 25: trace = 5.554798721104044 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114278892 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.553376036027672 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677030462 (0.00832607% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583829627 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970112273 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061024367 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957025719 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590488221 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249526820524 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677434417 (0.00363617% change) linmin: converged after 4 iterations. iteration 36: trace = 5.550864325197214 (0.00330307% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189085463 (0.00304707% change) linmin: converged after 3 iterations. iteration 38: trace = 5.550537717952991 (0.002837% change) linmin: converged after 4 iterations. iteration 39: trace = 5.550390745016765 (0.00264794% change) linmin: converged after 4 iterations. iteration 40: trace = 5.550253430569195 (0.00247399% change) linmin: converged after 3 iterations. iteration 41: trace = 5.550124903540151 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004421846708 (0.00217082% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891461704793 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.549785756741302 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687477347372 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597231303523 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515437749279 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441430732277 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373300352011 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308831719784 (0.00116173% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246789454556 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187392897125 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131424469458 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.54907895413011 (0.000945564% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029214418771 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603435091 (0.000858009% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936441469369 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894438507597 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472344308 (0.000702235% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214321412 (0.000671456% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940491089 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719124848 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070105016 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460562136 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631157925546 (0.000636238% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598782844302 (0.00058348% change) linmin: converged after 3 iterations. iteration 67: trace = 5.548569723873994 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403346127 (0.000456344% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919688256 (0.000387195% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976735944 (0.00347744% change) linmin: converged after 5 iterations. iteration 71: trace = 5.548232222550427 (0.00176188% change) linmin: converged after 6 iterations. iteration 72: trace = 5.54818008109459 (0.000939789% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373793321 (0.000391252% change) linmin: converged after 3 iterations. iteration 74: trace = 5.548148375778253 (0.000180204% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673477653 (6.67304e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864895084 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.54813883704804 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943205 (7.65593e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 5.548128746383531 (0.000105316% change) linmin: converged after 3 iterations. iteration 80: trace = 5.548123649320854 (9.187e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 5.548120939114632 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.548119009802893 (3.47742e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 5.54811826253436 (1.34689e-05% change) linmin: converged after 7 iterations. iteration 84: trace = 5.548117907882045 (6.3923e-06% change) linmin: converged after 23 iterations. iteration 85: trace = 5.548117802015849 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686875 (1.08738e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54811772942818 (2.20952e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.548117726415589 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 6 iterations. iteration 90: trace = 5.548117725372829 (3.89394e-09% change) linmin: converged after 6 iterations. iteration 91: trace = 5.548117725334797 (6.8549e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 5.548117725327034 (1.39916e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 5.548117725324982 (3.6996e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.31456995010375977 Fixing h-field (band 1) phase by 1 + -0i; max ampl. = 1 Fixing h-field (band 2) phase by 1 + -2.32469e-14i; max ampl. = 5.12967 Fixing h-field (band 3) phase by -3.17397e-12 + 1i; max ampl. = 4.27896 Fixing h-field (band 4) phase by -5.91748e-10 + 1i; max ampl. = 4.27882 Fixing h-field (band 5) phase by 1 + 4.76468e-09i; max ampl. = 1.75894 Fixing h-field (band 6) phase by 6.59899e-11 + -1i; max ampl. = 3.7555 Fixing h-field (band 7) phase by 1.31526e-10 + -1i; max ampl. = 3.75555 Fixing h-field (band 8) phase by 1 + -6.90848e-14i; max ampl. = 4.48388 .Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.49683586474489816 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44158844972254385 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069743 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757014 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677085 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502149 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.9229965195855883 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8819770916660692 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650196 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421857 at Vector3<0.5, 0.5, 0.0> to 1.086072932359415 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052698 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556935 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677085) to band 5 (0.8241814443502149), 1.7739824912428712% Gap from band 7 (1.086072932359415) to band 8 (1.0878689635052698), 0.16523267243447132% total elapsed time for run: 2.6877946853637695 done /tmp/meepakjAzV/test_get_eigenvectors-0: 2.78s /tmp/meepakjAzV/test_get_hfield-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.004155874252319336 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.37755894660949707 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.46974849700927734 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09111499786376953 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08600568771362305 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.12661147117614746 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15311670303344727 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11789059638977051 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09982848167419434 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.09146261215209961 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.11330366134643555 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.1571674346923828 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.12819218635559082 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.1473686695098877 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.20978116989135742 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.23902201652526855 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.36415624618530273 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.9777960777282715 done Fixing h-field (band 8) phase by -1 + 2.58922e-07i; max ampl. = 4.48388 ./tmp/meepakjAzV/test_get_hfield-0: 3.00s /tmp/meepakjAzV/test_handle_cvector-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015079975128173828 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.13853859901428223 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.12800240516662598 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.1110386848449707 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.10399270057678223 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.0945277214050293 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.0917656421661377 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.08699202537536621 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.08715200424194336 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.0725395679473877 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.07671141624450684 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.06546735763549805 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.07990241050720215 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.08755183219909668 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.09508657455444336 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.12075471878051758 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.0953512191772461 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 1.5400972366333008 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Found complex vector dataset... Input data is rank 2, size 32x32x1. Rotating vectors by matrix [ 0.8660254038, 0.5, -0 0.5, -0.8660254038, -0 -0, -0, 1 ] Output data 96x83x1. real part range: 0 .. 0 imag part range: 0 .. 0 real part range: 0 .. 0 imag part range: 0 .. 0 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 ./tmp/meepakjAzV/test_handle_cvector-0: 1.64s /tmp/meepakjAzV/test_hermitian_eps-0 ======================== Initializing eigensolver data Computing 10 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.11, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 10 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.16666666666666666, 0.0, 0.0> Vector3<0.3333333333333333, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.16666666666666666, 0.0> Vector3<0.5, 0.3333333333333333, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Vector3<0.16666666666666669, 0.16666666666666669, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0018007755279541016 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10 Solving for bands 2 to 10... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 46.67690825536735 (188.044% change) linmin: converged after 7 iterations. iteration 2: trace = 20.87201589192944 (76.4036% change) linmin: converged after 10 iterations. iteration 3: trace = 17.90281367460673 (15.3151% change) linmin: converged after 7 iterations. iteration 4: trace = 16.44745357201135 (8.47365% change) linmin: converged after 7 iterations. iteration 5: trace = 15.57503623871558 (5.44878% change) linmin: converged after 7 iterations. iteration 6: trace = 14.93685931084693 (4.18314% change) linmin: converged after 6 iterations. iteration 7: trace = 14.66427204412151 (1.84174% change) large trace change predicted (3.90566%) linmin: converged after 5 iterations. iteration 8: trace = 14.03803967394925 (4.36364% change) linmin: converged after 5 iterations. iteration 9: trace = 13.72475704319461 (2.25685% change) linmin: converged after 6 iterations. iteration 10: trace = 13.44496718978157 (2.05957% change) linmin: converged after 5 iterations. iteration 11: trace = 13.08709458939926 (2.69766% change) linmin: converged after 6 iterations. iteration 12: trace = 12.85444591732123 (1.79364% change) linmin: converged after 5 iterations. iteration 13: trace = 12.55657797174782 (2.3444% change) linmin: converged after 5 iterations. iteration 14: trace = 12.19678333591758 (2.90704% change) linmin: converged after 5 iterations. iteration 15: trace = 11.81712739283433 (3.16197% change) linmin: converged after 6 iterations. iteration 16: trace = 11.41216612913362 (3.48664% change) linmin: converged after 6 iterations. iteration 17: trace = 10.90973448619632 (4.50169% change) linmin: converged after 8 iterations. iteration 18: trace = 10.44959835156425 (4.30853% change) linmin: converged after 7 iterations. iteration 19: trace = 9.946119693999728 (4.9371% change) linmin: converged after 8 iterations. iteration 20: trace = 9.604108858104249 (3.49879% change) linmin: converged after 7 iterations. iteration 21: trace = 9.066211132700758 (5.76206% change) linmin: converged after 7 iterations. iteration 22: trace = 8.754783680320099 (3.49506% change) linmin: converged after 8 iterations. iteration 23: trace = 8.366907716682842 (4.53081% change) linmin: converged after 7 iterations. iteration 24: trace = 8.082023293497876 (3.46387% change) linmin: converged after 6 iterations. iteration 25: trace = 7.760859506072383 (4.05436% change) linmin: converged after 7 iterations. iteration 26: trace = 7.505495003243805 (3.34545% change) linmin: converged after 6 iterations. iteration 27: trace = 7.127998958156258 (5.15934% change) linmin: converged after 11 iterations. iteration 28: trace = 6.950727436055764 (2.51829% change) linmin: converged after 5 iterations. iteration 29: trace = 6.788207349772075 (2.36583% change) linmin: converged after 5 iterations. iteration 30: trace = 6.663378833341418 (1.85597% change) linmin: converged after 8 iterations. iteration 31: trace = 6.387397375407015 (4.22935% change) linmin: converged after 7 iterations. iteration 32: trace = 6.077630099806203 (4.97018% change) linmin: converged after 9 iterations. iteration 33: trace = 5.845265457472709 (3.89779% change) linmin: converged after 5 iterations. iteration 34: trace = 5.676181876309078 (2.93511% change) linmin: converged after 5 iterations. iteration 35: trace = 5.533824231205664 (2.53983% change) linmin: converged after 10 iterations. iteration 36: trace = 5.376187973974618 (2.88975% change) linmin: converged after 7 iterations. iteration 37: trace = 5.264316137410749 (2.10275% change) linmin: converged after 6 iterations. iteration 38: trace = 5.138003212054784 (2.42855% change) linmin: converged after 7 iterations. iteration 39: trace = 5.056109268376328 (1.60669% change) linmin: converged after 7 iterations. iteration 40: trace = 4.966406354072589 (1.79003% change) linmin: converged after 7 iterations. iteration 41: trace = 4.865793792633924 (2.04659% change) linmin: converged after 8 iterations. iteration 42: trace = 4.755591543596198 (2.29078% change) linmin: converged after 8 iterations. iteration 43: trace = 4.669630998346893 (1.82405% change) linmin: converged after 8 iterations. iteration 44: trace = 4.618919953560653 (1.0919% change) linmin: converged after 4 iterations. iteration 45: trace = 4.558826347512805 (1.30955% change) linmin: converged after 5 iterations. iteration 46: trace = 4.516268796384417 (0.937898% change) linmin: converged after 5 iterations. iteration 47: trace = 4.466855897051691 (1.10013% change) linmin: converged after 7 iterations. iteration 48: trace = 4.402172815963693 (1.45863% change) linmin: converged after 6 iterations. iteration 49: trace = 4.348894165981942 (1.21765% change) linmin: converged after 6 iterations. iteration 50: trace = 4.277264475657445 (1.66076% change) linmin: converged after 7 iterations. iteration 51: trace = 4.218023563650445 (1.39468% change) linmin: converged after 4 iterations. iteration 52: trace = 4.155509345171562 (1.49314% change) linmin: converged after 7 iterations. iteration 53: trace = 4.094398066584754 (1.4815% change) linmin: converged after 7 iterations. iteration 54: trace = 4.000043134875538 (2.33135% change) linmin: converged after 5 iterations. iteration 55: trace = 3.922502571777799 (1.95747% change) linmin: converged after 8 iterations. iteration 56: trace = 3.850088394081112 (1.86332% change) linmin: converged after 7 iterations. iteration 57: trace = 3.791821935313555 (1.52492% change) linmin: converged after 6 iterations. iteration 58: trace = 3.753050708507767 (1.02775% change) linmin: converged after 4 iterations. iteration 59: trace = 3.719648814645396 (0.893971% change) linmin: converged after 6 iterations. iteration 60: trace = 3.691349243816827 (0.763718% change) linmin: converged after 6 iterations. iteration 61: trace = 3.665517698636417 (0.702243% change) linmin: converged after 5 iterations. iteration 62: trace = 3.642774923950771 (0.622383% change) linmin: converged after 6 iterations. iteration 63: trace = 3.621632257764969 (0.582089% change) linmin: converged after 6 iterations. iteration 64: trace = 3.604354313198482 (0.478217% change) linmin: converged after 4 iterations. iteration 65: trace = 3.588974738288043 (0.427607% change) linmin: converged after 4 iterations. iteration 66: trace = 3.575630801714686 (0.372496% change) linmin: converged after 6 iterations. iteration 67: trace = 3.563562104542054 (0.338097% change) linmin: converged after 6 iterations. iteration 68: trace = 3.551359863705462 (0.343004% change) linmin: converged after 6 iterations. iteration 69: trace = 3.539576087021361 (0.332362% change) resetting CG direction... large trace change predicted (2.94865%) linmin: converged after 5 iterations. iteration 70: trace = 3.431405225034667 (3.10346% change) linmin: converged after 4 iterations. iteration 71: trace = 3.364606599918429 (1.96582% change) linmin: converged after 5 iterations. iteration 72: trace = 3.333178753762374 (0.938455% change) linmin: converged after 4 iterations. iteration 73: trace = 3.327511374845806 (0.170174% change) large trace change predicted (0.554837%) linmin: converged after 5 iterations. iteration 74: trace = 3.30839581049568 (0.576125% change) linmin: converged after 4 iterations. iteration 75: trace = 3.303101990445036 (0.16014% change) linmin: converged after 3 iterations. iteration 76: trace = 3.295500168802517 (0.230407% change) linmin: converged after 4 iterations. iteration 77: trace = 3.28807355346897 (0.22561% change) linmin: converged after 4 iterations. iteration 78: trace = 3.281432543666933 (0.202177% change) linmin: converged after 6 iterations. iteration 79: trace = 3.268340966472334 (0.399757% change) linmin: converged after 4 iterations. iteration 80: trace = 3.263337195175677 (0.153215% change) large trace change predicted (0.729751%) linmin: converged after 5 iterations. iteration 81: trace = 3.239916775785054 (0.720268% change) linmin: converged after 6 iterations. iteration 82: trace = 3.220325377463571 (0.606522% change) linmin: converged after 4 iterations. iteration 83: trace = 3.198541316604321 (0.678751% change) linmin: converged after 4 iterations. iteration 84: trace = 3.177521915924397 (0.659322% change) linmin: converged after 5 iterations. iteration 85: trace = 3.158689441282762 (0.59444% change) linmin: converged after 4 iterations. iteration 86: trace = 3.124351619672183 (1.09303% change) linmin: converged after 4 iterations. iteration 87: trace = 3.115938154199683 (0.26965% change) large trace change predicted (0.80553%) linmin: converged after 4 iterations. iteration 88: trace = 3.091192470229429 (0.797331% change) linmin: converged after 5 iterations. iteration 89: trace = 3.081043078189253 (0.328872% change) linmin: converged after 8 iterations. iteration 90: trace = 3.068578063540339 (0.405391% change) linmin: converged after 6 iterations. iteration 91: trace = 3.058935697216242 (0.314724% change) linmin: converged after 5 iterations. iteration 92: trace = 3.05180850737605 (0.233267% change) linmin: converged after 3 iterations. iteration 93: trace = 3.039400873174168 (0.407395% change) linmin: converged after 6 iterations. iteration 94: trace = 3.036435748683464 (0.0976038% change) large trace change predicted (0.289199%) linmin: converged after 7 iterations. iteration 95: trace = 3.027689317351538 (0.288465% change) linmin: converged after 5 iterations. iteration 96: trace = 3.025436115933095 (0.0744475% change) linmin: converged after 5 iterations. iteration 97: trace = 3.022123370988173 (0.109556% change) linmin: converged after 8 iterations. iteration 98: trace = 3.019557672499226 (0.0849333% change) linmin: converged after 5 iterations. iteration 99: trace = 3.017617454341009 (0.0642757% change) large trace change predicted (0.199216%) linmin: converged after 6 iterations. iteration 100: trace = 3.011702812029835 (0.196196% change) linmin: converged after 5 iterations. iteration 101: trace = 3.008822242129416 (0.0956917% change) large trace change predicted (0.494575%) linmin: converged after 7 iterations. iteration 102: trace = 2.993101363818678 (0.523861% change) large trace change predicted (2.76676%) linmin: converged after 11 iterations. iteration 103: trace = 2.971607966586401 (0.720685% change) linmin: converged after 6 iterations. iteration 104: trace = 2.966426041934485 (0.174533% change) linmin: converged after 7 iterations. iteration 105: trace = 2.962576916432998 (0.129841% change) linmin: converged after 4 iterations. iteration 106: trace = 2.959663417317667 (0.0983918% change) linmin: converged after 4 iterations. iteration 107: trace = 2.957613910125768 (0.069272% change) linmin: converged after 4 iterations. iteration 108: trace = 2.956027948354737 (0.0536374% change) linmin: converged after 4 iterations. iteration 109: trace = 2.954446405928148 (0.0535166% change) linmin: converged after 4 iterations. iteration 110: trace = 2.952644656961998 (0.0610029% change) linmin: converged after 7 iterations. iteration 111: trace = 2.950800299587361 (0.0624841% change) linmin: converged after 5 iterations. iteration 112: trace = 2.949162275119235 (0.0555266% change) linmin: converged after 5 iterations. iteration 113: trace = 2.947680347043586 (0.0502617% change) linmin: converged after 5 iterations. iteration 114: trace = 2.946173844337002 (0.0511211% change) linmin: converged after 4 iterations. iteration 115: trace = 2.944665514272482 (0.0512093% change) linmin: converged after 4 iterations. iteration 116: trace = 2.943386753096056 (0.0434358% change) linmin: converged after 8 iterations. iteration 117: trace = 2.942362730441001 (0.0347967% change) linmin: converged after 6 iterations. iteration 118: trace = 2.941372078288963 (0.0336743% change) linmin: converged after 6 iterations. iteration 119: trace = 2.940246560501752 (0.0382724% change) linmin: converged after 6 iterations. iteration 120: trace = 2.939085641698362 (0.0394915% change) linmin: converged after 6 iterations. iteration 121: trace = 2.938048946889208 (0.0352789% change) linmin: converged after 7 iterations. iteration 122: trace = 2.937029634222545 (0.0346995% change) linmin: converged after 4 iterations. iteration 123: trace = 2.93578498323623 (0.0423869% change) linmin: converged after 4 iterations. iteration 124: trace = 2.934266526562438 (0.0517357% change) linmin: converged after 4 iterations. iteration 125: trace = 2.932753457184486 (0.0515788% change) linmin: converged after 6 iterations. iteration 126: trace = 2.931392951500543 (0.0464008% change) linmin: converged after 4 iterations. iteration 127: trace = 2.930045864154609 (0.0459644% change) linmin: converged after 4 iterations. iteration 128: trace = 2.928604937066982 (0.0491897% change) linmin: converged after 4 iterations. iteration 129: trace = 2.927186353523649 (0.0484506% change) linmin: converged after 5 iterations. iteration 130: trace = 2.92592607553319 (0.0430635% change) linmin: converged after 7 iterations. iteration 131: trace = 2.924738046286078 (0.0406118% change) linmin: converged after 5 iterations. iteration 132: trace = 2.923387162526266 (0.0461989% change) linmin: converged after 4 iterations. iteration 133: trace = 2.921694777691809 (0.057908% change) linmin: converged after 4 iterations. iteration 134: trace = 2.919767635225542 (0.0659815% change) linmin: converged after 4 iterations. iteration 135: trace = 2.917896313499875 (0.064112% change) linmin: converged after 4 iterations. iteration 136: trace = 2.91617931683536 (0.058861% change) linmin: converged after 5 iterations. iteration 137: trace = 2.914507630833452 (0.057341% change) linmin: converged after 5 iterations. iteration 138: trace = 2.912775780152054 (0.0594394% change) linmin: converged after 5 iterations. iteration 139: trace = 2.911010765359506 (0.060614% change) resetting CG direction... large trace change predicted (0.793722%) linmin: converged after 4 iterations. iteration 140: trace = 2.888445434845293 (0.778188% change) large trace change predicted (2.41109%) linmin: converged after 6 iterations. iteration 141: trace = 2.824395301475856 (2.24232% change) linmin: converged after 6 iterations. iteration 142: trace = 2.788318376203819 (1.28554% change) linmin: converged after 4 iterations. iteration 143: trace = 2.760124165776621 (1.01629% change) linmin: converged after 4 iterations. iteration 144: trace = 2.747302232502843 (0.465623% change) linmin: converged after 3 iterations. iteration 145: trace = 2.742808570144592 (0.1637% change) linmin: converged after 4 iterations. iteration 146: trace = 2.736559669694309 (0.228088% change) linmin: converged after 7 iterations. iteration 147: trace = 2.734950084071833 (0.0588352% change) linmin: converged after 10 iterations. iteration 148: trace = 2.732082394813406 (0.104908% change) linmin: converged after 5 iterations. iteration 149: trace = 2.731340115523151 (0.0271727% change) large trace change predicted (0.066467%) linmin: converged after 7 iterations. iteration 150: trace = 2.729522161691801 (0.0665812% change) linmin: converged after 4 iterations. iteration 151: trace = 2.72891463549496 (0.0222601% change) linmin: converged after 4 iterations. iteration 152: trace = 2.727938453189785 (0.0357782% change) linmin: converged after 6 iterations. iteration 153: trace = 2.727649314412402 (0.0105997% change) large trace change predicted (0.0314719%) linmin: converged after 5 iterations. iteration 154: trace = 2.726791830859148 (0.0314417% change) linmin: converged after 5 iterations. iteration 155: trace = 2.726414202246866 (0.0138498% change) large trace change predicted (0.0747307%) linmin: converged after 4 iterations. iteration 156: trace = 2.724395467475787 (0.074071% change) linmin: converged after 4 iterations. iteration 157: trace = 2.723687992722442 (0.0259715% change) linmin: converged after 4 iterations. iteration 158: trace = 2.722564479351532 (0.0412582% change) linmin: converged after 6 iterations. iteration 159: trace = 2.721742641544374 (0.0301907% change) linmin: converged after 6 iterations. iteration 160: trace = 2.720173117539718 (0.0576828% change) linmin: converged after 4 iterations. iteration 161: trace = 2.719126934528914 (0.0384676% change) large trace change predicted (0.105576%) linmin: converged after 4 iterations. iteration 162: trace = 2.716260242702058 (0.105483% change) linmin: converged after 5 iterations. iteration 163: trace = 2.715293689117474 (0.0355903% change) large trace change predicted (0.139385%) linmin: converged after 4 iterations. iteration 164: trace = 2.711486071436141 (0.140327% change) linmin: converged after 4 iterations. iteration 165: trace = 2.710549551642114 (0.034545% change) large trace change predicted (0.088161%) linmin: converged after 4 iterations. iteration 166: trace = 2.708140625122256 (0.0889118% change) linmin: converged after 7 iterations. iteration 167: trace = 2.707016991616928 (0.0414996% change) linmin: converged after 6 iterations. iteration 168: trace = 2.705086517550507 (0.0713391% change) linmin: converged after 6 iterations. iteration 169: trace = 2.704249185579521 (0.0309588% change) linmin: converged after 6 iterations. iteration 170: trace = 2.70286697756975 (0.0511255% change) linmin: converged after 6 iterations. iteration 171: trace = 2.702314851114448 (0.0204295% change) large trace change predicted (0.0431886%) linmin: converged after 6 iterations. iteration 172: trace = 2.701148865822604 (0.043157% change) linmin: converged after 6 iterations. iteration 173: trace = 2.700717737994567 (0.0159622% change) linmin: converged after 5 iterations. iteration 174: trace = 2.699926496369319 (0.0293017% change) linmin: converged after 9 iterations. iteration 175: trace = 2.699504711326707 (0.0156233% change) linmin: converged after 4 iterations. iteration 176: trace = 2.698895228285984 (0.0225801% change) linmin: converged after 5 iterations. iteration 177: trace = 2.69845248627361 (0.0164059% change) linmin: converged after 4 iterations. iteration 178: trace = 2.697993927855573 (0.0169948% change) linmin: converged after 9 iterations. iteration 179: trace = 2.697465798470492 (0.0195768% change) linmin: converged after 4 iterations. iteration 180: trace = 2.696665529696999 (0.0296718% change) linmin: converged after 7 iterations. iteration 181: trace = 2.696203637949456 (0.0171297% change) large trace change predicted (0.0347105%) linmin: converged after 5 iterations. iteration 182: trace = 2.695266855519616 (0.0347505% change) linmin: converged after 5 iterations. iteration 183: trace = 2.694439958230504 (0.0306843% change) large trace change predicted (0.0624104%) linmin: converged after 9 iterations. iteration 184: trace = 2.692752798118185 (0.062636% change) linmin: converged after 8 iterations. iteration 185: trace = 2.690742143608226 (0.074697% change) linmin: converged after 5 iterations. iteration 186: trace = 2.687553625591221 (0.11857% change) linmin: converged after 10 iterations. iteration 187: trace = 2.685786271118345 (0.0657823% change) large trace change predicted (0.272422%) linmin: converged after 5 iterations. iteration 188: trace = 2.678469038850558 (0.272814% change) linmin: converged after 5 iterations. iteration 189: trace = 2.675875271270749 (0.0968846% change) large trace change predicted (0.339205%) linmin: converged after 4 iterations. iteration 190: trace = 2.666749429302875 (0.341624% change) linmin: converged after 5 iterations. iteration 191: trace = 2.662935791754209 (0.143109% change) linmin: converged after 5 iterations. iteration 192: trace = 2.657097947243713 (0.219466% change) linmin: converged after 5 iterations. iteration 193: trace = 2.653500798862163 (0.135471% change) linmin: converged after 6 iterations. iteration 194: trace = 2.648519701485342 (0.187894% change) linmin: converged after 4 iterations. iteration 195: trace = 2.645319196327754 (0.120914% change) linmin: converged after 4 iterations. iteration 196: trace = 2.643049563980745 (0.0858349% change) linmin: converged after 5 iterations. iteration 197: trace = 2.639077161842874 (0.150409% change) linmin: converged after 7 iterations. iteration 198: trace = 2.637980234339716 (0.0415735% change) large trace change predicted (0.120144%) linmin: converged after 4 iterations. iteration 199: trace = 2.634788372723134 (0.12107% change) linmin: converged after 5 iterations. iteration 200: trace = 2.633992269155724 (0.0302197% change) large trace change predicted (0.0843001%) linmin: converged after 3 iterations. iteration 201: trace = 2.631753617625737 (0.0850269% change) linmin: converged after 6 iterations. iteration 202: trace = 2.630651895620766 (0.0418714% change) large trace change predicted (0.0971038%) linmin: converged after 9 iterations. iteration 203: trace = 2.628077536137525 (0.097908% change) linmin: converged after 4 iterations. iteration 204: trace = 2.626793183488546 (0.0488824% change) large trace change predicted (0.142943%) linmin: converged after 3 iterations. iteration 205: trace = 2.622986080692303 (0.145039% change) linmin: converged after 4 iterations. iteration 206: trace = 2.621383996907963 (0.0610973% change) large trace change predicted (0.232967%) linmin: converged after 4 iterations. iteration 207: trace = 2.615139473869272 (0.238499% change) linmin: converged after 3 iterations. iteration 208: trace = 2.612611956167025 (0.0966962% change) large trace change predicted (0.273615%) linmin: converged after 4 iterations. iteration 209: trace = 2.605294546018591 (0.280473% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.602501639585325 (0.107259% change) linmin: converged after 4 iterations. iteration 211: trace = 2.598226783311826 (0.164395% change) linmin: converged after 4 iterations. iteration 212: trace = 2.595438442445011 (0.107375% change) linmin: converged after 4 iterations. iteration 213: trace = 2.593716854831667 (0.0663533% change) large trace change predicted (0.153318%) linmin: converged after 4 iterations. iteration 214: trace = 2.589741715718366 (0.153378% change) linmin: converged after 5 iterations. iteration 215: trace = 2.588707419123327 (0.0399462% change) large trace change predicted (0.210518%) linmin: converged after 6 iterations. iteration 216: trace = 2.583253193893322 (0.210915% change) linmin: converged after 9 iterations. iteration 217: trace = 2.581730199574025 (0.0589738% change) large trace change predicted (0.133263%) linmin: converged after 5 iterations. iteration 218: trace = 2.578286680822565 (0.133469% change) linmin: converged after 7 iterations. iteration 219: trace = 2.575897179422247 (0.0927208% change) linmin: converged after 4 iterations. iteration 220: trace = 2.572968263562473 (0.113769% change) linmin: converged after 3 iterations. iteration 221: trace = 2.568394298969082 (0.177928% change) linmin: converged after 7 iterations. iteration 222: trace = 2.565762350762913 (0.102527% change) large trace change predicted (0.271659%) linmin: converged after 3 iterations. iteration 223: trace = 2.558743056249501 (0.27395% change) linmin: converged after 4 iterations. iteration 224: trace = 2.555855356893964 (0.11292% change) large trace change predicted (0.383531%) linmin: converged after 4 iterations. iteration 225: trace = 2.545964046426559 (0.387756% change) linmin: converged after 4 iterations. iteration 226: trace = 2.542272455031843 (0.145103% change) large trace change predicted (0.357961%) linmin: converged after 3 iterations. iteration 227: trace = 2.533094064316798 (0.361684% change) linmin: converged after 4 iterations. iteration 228: trace = 2.529281986486796 (0.150604% change) large trace change predicted (0.341752%) linmin: converged after 3 iterations. iteration 229: trace = 2.520565177206163 (0.345231% change) linmin: converged after 5 iterations. iteration 230: trace = 2.518048803871747 (0.0998836% change) large trace change predicted (0.265439%) linmin: converged after 4 iterations. iteration 231: trace = 2.511316892458201 (0.267704% change) linmin: converged after 7 iterations. iteration 232: trace = 2.510042722318929 (0.05075% change) large trace change predicted (0.139546%) linmin: converged after 3 iterations. iteration 233: trace = 2.50652768321382 (0.140137% change) linmin: converged after 6 iterations. iteration 234: trace = 2.50570701660063 (0.0327465% change) large trace change predicted (0.0895116%) linmin: converged after 6 iterations. iteration 235: trace = 2.503462764984659 (0.0896057% change) linmin: converged after 5 iterations. iteration 236: trace = 2.502020878554722 (0.0576123% change) linmin: converged after 3 iterations. iteration 237: trace = 2.499357133046416 (0.10652% change) linmin: converged after 4 iterations. iteration 238: trace = 2.498060229272503 (0.051903% change) large trace change predicted (0.134377%) linmin: converged after 3 iterations. iteration 239: trace = 2.494680578926055 (0.135383% change) linmin: converged after 3 iterations. iteration 240: trace = 2.492784206177824 (0.0760456% change) linmin: converged after 3 iterations. iteration 241: trace = 2.489548510931036 (0.129887% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485323205274456 (0.169866% change) linmin: converged after 4 iterations. iteration 243: trace = 2.483243378713432 (0.0837194% change) large trace change predicted (0.199061%) linmin: converged after 3 iterations. iteration 244: trace = 2.478260870991282 (0.200847% change) linmin: converged after 8 iterations. iteration 245: trace = 2.476663235827183 (0.0644868% change) large trace change predicted (0.23638%) linmin: converged after 3 iterations. iteration 246: trace = 2.470771800393848 (0.238161% change) linmin: converged after 4 iterations. iteration 247: trace = 2.467263022187214 (0.142112% change) linmin: converged after 4 iterations. iteration 248: trace = 2.463512827262804 (0.152114% change) linmin: converged after 3 iterations. iteration 249: trace = 2.460173715285887 (0.135635% change) linmin: converged after 4 iterations. iteration 250: trace = 2.458464637430362 (0.0694939% change) large trace change predicted (0.161944%) linmin: converged after 3 iterations. iteration 251: trace = 2.454447849151615 (0.16352% change) linmin: converged after 4 iterations. iteration 252: trace = 2.452898905318962 (0.0631275% change) large trace change predicted (0.134015%) linmin: converged after 3 iterations. iteration 253: trace = 2.449577914497606 (0.135482% change) linmin: converged after 3 iterations. iteration 254: trace = 2.448630132296462 (0.0386991% change) linmin: converged after 4 iterations. iteration 255: trace = 2.447792953309919 (0.0341955% change) linmin: converged after 4 iterations. iteration 256: trace = 2.447309279190399 (0.0197616% change) linmin: converged after 5 iterations. iteration 257: trace = 2.447075084348053 (0.00956994% change) large trace change predicted (0.0198404%) linmin: converged after 3 iterations. iteration 258: trace = 2.446589451158328 (0.0198474% change) linmin: converged after 5 iterations. iteration 259: trace = 2.44643885622507 (0.00615549% change) large trace change predicted (0.0328875%) linmin: converged after 3 iterations. iteration 260: trace = 2.445633996009991 (0.0329047% change) linmin: converged after 6 iterations. iteration 261: trace = 2.445318466412624 (0.0129026% change) large trace change predicted (0.0608575%) linmin: converged after 3 iterations. iteration 262: trace = 2.443826921509546 (0.0610145% change) linmin: converged after 8 iterations. iteration 263: trace = 2.442960129708474 (0.0354749% change) large trace change predicted (0.0929087%) linmin: converged after 3 iterations. iteration 264: trace = 2.440675969398874 (0.0935434% change) linmin: converged after 4 iterations. iteration 265: trace = 2.439708508065579 (0.0396469% change) large trace change predicted (0.147496%) linmin: converged after 3 iterations. iteration 266: trace = 2.436077919336658 (0.148923% change) linmin: converged after 7 iterations. iteration 267: trace = 2.434989871206461 (0.0446739% change) large trace change predicted (0.13501%) linmin: converged after 3 iterations. iteration 268: trace = 2.431673039558048 (0.136308% change) linmin: converged after 4 iterations. iteration 269: trace = 2.430791547543352 (0.036257% change) large trace change predicted (0.0924884%) linmin: converged after 3 iterations. iteration 270: trace = 2.428532709530431 (0.0929692% change) linmin: converged after 4 iterations. iteration 271: trace = 2.428080183817308 (0.0186354% change) linmin: converged after 3 iterations. iteration 272: trace = 2.427352276899583 (0.0299832% change) linmin: converged after 5 iterations. iteration 273: trace = 2.427093882290142 (0.0106457% change) linmin: converged after 3 iterations. iteration 274: trace = 2.426602493386211 (0.020248% change) linmin: converged after 5 iterations. iteration 275: trace = 2.426458650763427 (0.00592791% change) large trace change predicted (0.0145955%) linmin: converged after 3 iterations. iteration 276: trace = 2.42610420864135 (0.0146085% change) linmin: converged after 9 iterations. iteration 277: trace = 2.426001026018845 (0.00425311% change) large trace change predicted (0.0130293%) linmin: converged after 4 iterations. iteration 278: trace = 2.425684744039484 (0.013038% change) linmin: converged after 4 iterations. iteration 279: trace = 2.425547908904644 (0.00564125% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.425456432332552 (0.00377145% change) linmin: converged after 3 iterations. iteration 281: trace = 2.425329023523761 (0.00525312% change) linmin: converged after 3 iterations. iteration 282: trace = 2.425209263141928 (0.00493802% change) linmin: converged after 5 iterations. iteration 283: trace = 2.425139361694731 (0.00288233% change) large trace change predicted (0.0101575%) linmin: converged after 4 iterations. iteration 284: trace = 2.424892873652419 (0.0101644% change) linmin: converged after 4 iterations. iteration 285: trace = 2.424794217343377 (0.00406856% change) large trace change predicted (0.0152137%) linmin: converged after 3 iterations. iteration 286: trace = 2.424425233233391 (0.0152183% change) linmin: converged after 4 iterations. iteration 287: trace = 2.423886327780014 (0.0222306% change) linmin: converged after 5 iterations. iteration 288: trace = 2.423609126297221 (0.0114369% change) large trace change predicted (0.0278068%) linmin: converged after 3 iterations. iteration 289: trace = 2.422934176240295 (0.0278528% change) linmin: converged after 7 iterations. iteration 290: trace = 2.422182661303272 (0.0310215% change) linmin: converged after 4 iterations. iteration 291: trace = 2.421816113520184 (0.0151341% change) linmin: converged after 3 iterations. iteration 292: trace = 2.421092952299891 (0.0298647% change) linmin: converged after 8 iterations. iteration 293: trace = 2.420928853410942 (0.00677811% change) linmin: converged after 3 iterations. iteration 294: trace = 2.420614966273286 (0.0129664% change) linmin: converged after 3 iterations. iteration 295: trace = 2.420423391102427 (0.00791463% change) linmin: converged after 4 iterations. iteration 296: trace = 2.420351654383627 (0.00296385% change) linmin: converged after 4 iterations. iteration 297: trace = 2.420227943006071 (0.00511143% change) linmin: converged after 4 iterations. iteration 298: trace = 2.420056192437012 (0.00709671% change) linmin: converged after 5 iterations. iteration 299: trace = 2.41997922460286 (0.00318047% change) large trace change predicted (0.00933409%) linmin: converged after 4 iterations. iteration 300: trace = 2.419753538390246 (0.00932639% change) linmin: converged after 5 iterations. iteration 301: trace = 2.419685427916214 (0.00281481% change) large trace change predicted (0.00607762%) linmin: converged after 8 iterations. iteration 302: trace = 2.419538451023052 (0.0060744% change) linmin: converged after 6 iterations. iteration 303: trace = 2.419396855475916 (0.00585234% change) linmin: converged after 4 iterations. iteration 304: trace = 2.419347300034381 (0.00204828% change) large trace change predicted (0.00847111%) linmin: converged after 6 iterations. iteration 305: trace = 2.419142483385138 (0.00846614% change) linmin: converged after 7 iterations. iteration 306: trace = 2.419070004982281 (0.00299608% change) large trace change predicted (0.0116725%) linmin: converged after 5 iterations. iteration 307: trace = 2.418787686606084 (0.0116712% change) linmin: converged after 6 iterations. iteration 308: trace = 2.418489990653812 (0.0123084% change) linmin: converged after 5 iterations. iteration 309: trace = 2.418281992445798 (0.0086007% change) large trace change predicted (0.0215931%) linmin: converged after 6 iterations. iteration 310: trace = 2.417760276407096 (0.0215762% change) linmin: converged after 5 iterations. iteration 311: trace = 2.417435188649911 (0.0134467% change) linmin: converged after 6 iterations. iteration 312: trace = 2.416805750619196 (0.0260408% change) linmin: converged after 7 iterations. iteration 313: trace = 2.416320700337448 (0.0200719% change) linmin: converged after 5 iterations. iteration 314: trace = 2.416241788340399 (0.00326584% change) large trace change predicted (0.00695951%) linmin: converged after 4 iterations. iteration 315: trace = 2.416073670003391 (0.00695809% change) linmin: converged after 6 iterations. iteration 316: trace = 2.41601284513149 (0.00251754% change) linmin: converged after 4 iterations. iteration 317: trace = 2.415961263335417 (0.00213502% change) large trace change predicted (0.0043315%) linmin: converged after 7 iterations. iteration 318: trace = 2.415856617529764 (0.00433153% change) linmin: converged after 5 iterations. iteration 319: trace = 2.415830097387928 (0.00109776% change) large trace change predicted (0.00369501%) linmin: converged after 5 iterations. iteration 320: trace = 2.415740854367253 (0.00369416% change) linmin: converged after 5 iterations. iteration 321: trace = 2.415707298352126 (0.00138907% change) large trace change predicted (0.00444085%) linmin: converged after 3 iterations. iteration 322: trace = 2.415600078669746 (0.00443854% change) linmin: converged after 5 iterations. iteration 323: trace = 2.415491021179368 (0.00451482% change) linmin: converged after 5 iterations. iteration 324: trace = 2.415410490161924 (0.003334% change) linmin: converged after 4 iterations. iteration 325: trace = 2.415254944952951 (0.00643991% change) linmin: converged after 4 iterations. iteration 326: trace = 2.415046129890972 (0.00864605% change) linmin: converged after 3 iterations. iteration 327: trace = 2.414972277783549 (0.00305805% change) large trace change predicted (0.00705234%) linmin: converged after 4 iterations. iteration 328: trace = 2.41480187476109 (0.00705636% change) linmin: converged after 4 iterations. iteration 329: trace = 2.414693138410026 (0.00450301% change) linmin: converged after 4 iterations. iteration 330: trace = 2.414626182250977 (0.0027729% change) large trace change predicted (0.00596213%) linmin: converged after 5 iterations. iteration 331: trace = 2.41448221362451 (0.00596253% change) linmin: converged after 4 iterations. iteration 332: trace = 2.414448144180044 (0.00141106% change) large trace change predicted (0.00381542%) linmin: converged after 3 iterations. iteration 333: trace = 2.414356026994811 (0.00381532% change) linmin: converged after 4 iterations. iteration 334: trace = 2.414292217436085 (0.00264296% change) linmin: converged after 6 iterations. iteration 335: trace = 2.414274976961073 (0.000714103% change) linmin: converged after 5 iterations. iteration 336: trace = 2.41424749585838 (0.00113828% change) linmin: converged after 5 iterations. iteration 337: trace = 2.414228923824201 (0.000769271% change) linmin: converged after 5 iterations. iteration 338: trace = 2.414219112327275 (0.000406404% change) large trace change predicted (0.00175654%) linmin: converged after 5 iterations. iteration 339: trace = 2.414176701400069 (0.00175673% change) linmin: converged after 5 iterations. iteration 340: trace = 2.414164289373766 (0.000514132% change) large trace change predicted (0.00362285%) linmin: converged after 3 iterations. iteration 341: trace = 2.414076812566992 (0.00362355% change) linmin: converged after 5 iterations. iteration 342: trace = 2.41393565185639 (0.00584757% change) linmin: converged after 5 iterations. iteration 343: trace = 2.413841194268387 (0.00391309% change) large trace change predicted (0.0112809%) linmin: converged after 4 iterations. iteration 344: trace = 2.413568614311757 (0.011293% change) linmin: converged after 5 iterations. iteration 345: trace = 2.413477319728524 (0.00378263% change) large trace change predicted (0.0111679%) linmin: converged after 3 iterations. iteration 346: trace = 2.413207365570949 (0.0111859% change) linmin: converged after 5 iterations. iteration 347: trace = 2.413070580848645 (0.00566833% change) linmin: converged after 5 iterations. iteration 348: trace = 2.413030384099815 (0.00166581% change) linmin: converged after 3 iterations. iteration 349: trace = 2.412977344368873 (0.00219808% change) resetting CG direction... linmin: converged after 5 iterations. iteration 350: trace = 2.412958092376421 (0.000797855% change) linmin: converged after 4 iterations. iteration 351: trace = 2.412944186537388 (0.0005763% change) large trace change predicted (0.00115838%) linmin: converged after 5 iterations. iteration 352: trace = 2.412916241354624 (0.00115814% change) linmin: converged after 5 iterations. iteration 353: trace = 2.412898546131054 (0.000733357% change) linmin: converged after 4 iterations. iteration 354: trace = 2.41286590797486 (0.00135266% change) linmin: converged after 5 iterations. iteration 355: trace = 2.412838275273388 (0.00114523% change) linmin: converged after 8 iterations. iteration 356: trace = 2.412819378003956 (0.0007832% change) linmin: converged after 12 iterations. iteration 357: trace = 2.412787122255042 (0.00133686% change) linmin: converged after 5 iterations. iteration 358: trace = 2.412779151682144 (0.000330348% change) large trace change predicted (0.00077371%) linmin: converged after 4 iterations. iteration 359: trace = 2.412760484552215 (0.000773681% change) linmin: converged after 5 iterations. iteration 360: trace = 2.412735338182783 (0.00104223% change) linmin: converged after 7 iterations. iteration 361: trace = 2.4127183686781 (0.000703333% change) large trace change predicted (0.00185915%) linmin: converged after 6 iterations. iteration 362: trace = 2.412673508075089 (0.00185936% change) linmin: converged after 5 iterations. iteration 363: trace = 2.412653995667547 (0.00080875% change) large trace change predicted (0.00290444%) linmin: converged after 3 iterations. iteration 364: trace = 2.412583932793069 (0.00290402% change) linmin: converged after 5 iterations. iteration 365: trace = 2.412548947115566 (0.00145014% change) large trace change predicted (0.00300818%) linmin: converged after 4 iterations. iteration 366: trace = 2.412476403188062 (0.00300699% change) linmin: converged after 3 iterations. iteration 367: trace = 2.412401118052748 (0.00312071% change) linmin: converged after 5 iterations. iteration 368: trace = 2.412370979376927 (0.00124933% change) large trace change predicted (0.00294526%) linmin: converged after 5 iterations. iteration 369: trace = 2.412299940811616 (0.0029448% change) linmin: converged after 5 iterations. iteration 370: trace = 2.412281881316058 (0.000748645% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412248577538592 (0.0013806% change) linmin: converged after 5 iterations. iteration 372: trace = 2.41223860759855 (0.000413306% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412231359508706 (0.000300472% change) linmin: converged after 6 iterations. iteration 374: trace = 2.41222132841783 (0.000415844% change) linmin: converged after 5 iterations. iteration 375: trace = 2.412216242942324 (0.000210821% change) large trace change predicted (0.00072922%) linmin: converged after 5 iterations. iteration 376: trace = 2.412198649038367 (0.000729369% change) linmin: converged after 4 iterations. iteration 377: trace = 2.412178949939009 (0.000816648% change) linmin: converged after 5 iterations. iteration 378: trace = 2.41214855897637 (0.0012599% change) linmin: converged after 4 iterations. iteration 379: trace = 2.412104053526888 (0.00184507% change) linmin: converged after 3 iterations. iteration 380: trace = 2.412080240623456 (0.00098723% change) large trace change predicted (0.00246305%) linmin: converged after 6 iterations. iteration 381: trace = 2.412020807051376 (0.00246403% change) linmin: converged after 15 iterations. iteration 382: trace = 2.411973698873427 (0.00195308% change) linmin: converged after 4 iterations. iteration 383: trace = 2.411903871828019 (0.00289506% change) linmin: converged after 5 iterations. iteration 384: trace = 2.411801156507217 (0.00425877% change) linmin: converged after 6 iterations. iteration 385: trace = 2.411731816763695 (0.00287506% change) linmin: converged after 3 iterations. iteration 386: trace = 2.411598310239355 (0.00553587% change) linmin: converged after 4 iterations. iteration 387: trace = 2.411529071867097 (0.0028711% change) large trace change predicted (0.00740489%) linmin: converged after 5 iterations. iteration 388: trace = 2.411350480844088 (0.00740599% change) linmin: converged after 4 iterations. iteration 389: trace = 2.411233800911248 (0.0048389% change) linmin: converged after 5 iterations. iteration 390: trace = 2.411160048038394 (0.00305877% change) linmin: converged after 4 iterations. iteration 391: trace = 2.411071925929188 (0.00365483% change) linmin: converged after 5 iterations. iteration 392: trace = 2.411050622414977 (0.000883574% change) linmin: converged after 3 iterations. iteration 393: trace = 2.41101385150018 (0.00152511% change) linmin: converged after 3 iterations. iteration 394: trace = 2.410997394176545 (0.000682592% change) linmin: converged after 4 iterations. iteration 395: trace = 2.410977271535709 (0.000834622% change) linmin: converged after 5 iterations. iteration 396: trace = 2.410937309307222 (0.00165753% change) linmin: converged after 5 iterations. iteration 397: trace = 2.410918125106366 (0.000795719% change) large trace change predicted (0.00311544%) linmin: converged after 6 iterations. iteration 398: trace = 2.410842986991483 (0.00311663% change) linmin: converged after 5 iterations. iteration 399: trace = 2.41080973393768 (0.00137932% change) large trace change predicted (0.00291%) linmin: converged after 5 iterations. iteration 400: trace = 2.410739532115938 (0.002912% change) linmin: converged after 5 iterations. iteration 401: trace = 2.410664669274483 (0.00310544% change) linmin: converged after 5 iterations. iteration 402: trace = 2.410552887049915 (0.0046371% change) linmin: converged after 4 iterations. iteration 403: trace = 2.410349498574735 (0.00843778% change) linmin: converged after 5 iterations. iteration 404: trace = 2.410247467713317 (0.00423312% change) linmin: converged after 6 iterations. iteration 405: trace = 2.410109779272211 (0.00571279% change) linmin: converged after 5 iterations. iteration 406: trace = 2.410046036568734 (0.00264484% change) linmin: converged after 5 iterations. iteration 407: trace = 2.409960070641615 (0.00356705% change) linmin: converged after 4 iterations. iteration 408: trace = 2.409900657652954 (0.00246534% change) linmin: converged after 4 iterations. iteration 409: trace = 2.4098448769595 (0.00231467% change) linmin: converged after 5 iterations. iteration 410: trace = 2.409765691820529 (0.00328596% change) linmin: converged after 5 iterations. iteration 411: trace = 2.40972606929655 (0.00164426% change) linmin: converged after 5 iterations. iteration 412: trace = 2.409650066208098 (0.00315406% change) linmin: converged after 8 iterations. iteration 413: trace = 2.409606293325892 (0.00181658% change) linmin: converged after 5 iterations. iteration 414: trace = 2.409534386414847 (0.00298422% change) linmin: converged after 5 iterations. iteration 415: trace = 2.409470165137451 (0.00266533% change) linmin: converged after 5 iterations. iteration 416: trace = 2.409437705109584 (0.00134719% change) linmin: converged after 5 iterations. iteration 417: trace = 2.409387052082649 (0.0021023% change) linmin: converged after 8 iterations. iteration 418: trace = 2.409366453536216 (0.000854933% change) large trace change predicted (0.0022058%) linmin: converged after 5 iterations. iteration 419: trace = 2.409313296913291 (0.00220627% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.409287425703921 (0.00107381% change) linmin: converged after 5 iterations. iteration 421: trace = 2.409267190493871 (0.000839887% change) large trace change predicted (0.00196727%) linmin: converged after 6 iterations. iteration 422: trace = 2.409219801679697 (0.00196696% change) linmin: converged after 5 iterations. iteration 423: trace = 2.409204193177113 (0.000647868% change) large trace change predicted (0.00309081%) linmin: converged after 4 iterations. iteration 424: trace = 2.40912975131398 (0.00308994% change) linmin: converged after 4 iterations. iteration 425: trace = 2.409087094882162 (0.00177063% change) linmin: converged after 3 iterations. iteration 426: trace = 2.409046497537967 (0.00168519% change) linmin: converged after 5 iterations. iteration 427: trace = 2.408980518253521 (0.00273885% change) linmin: converged after 4 iterations. iteration 428: trace = 2.408951597724842 (0.00120054% change) linmin: converged after 5 iterations. iteration 429: trace = 2.408911712310085 (0.00165573% change) linmin: converged after 5 iterations. iteration 430: trace = 2.408857624651632 (0.00224534% change) linmin: converged after 5 iterations. iteration 431: trace = 2.408833758688919 (0.000990763% change) large trace change predicted (0.00345919%) linmin: converged after 5 iterations. iteration 432: trace = 2.408750489844308 (0.00345687% change) linmin: converged after 4 iterations. iteration 433: trace = 2.408723882556862 (0.00110462% change) large trace change predicted (0.00323725%) linmin: converged after 3 iterations. iteration 434: trace = 2.408645956803237 (0.0032352% change) linmin: converged after 3 iterations. iteration 435: trace = 2.40855904776062 (0.00360828% change) linmin: converged after 7 iterations. iteration 436: trace = 2.40852618076087 (0.0013646% change) large trace change predicted (0.00364536%) linmin: converged after 3 iterations. iteration 437: trace = 2.408438436829843 (0.00364312% change) linmin: converged after 5 iterations. iteration 438: trace = 2.408395811469374 (0.00176985% change) linmin: converged after 5 iterations. iteration 439: trace = 2.408354438275061 (0.00171789% change) linmin: converged after 5 iterations. iteration 440: trace = 2.408324265818377 (0.00125283% change) linmin: converged after 4 iterations. iteration 441: trace = 2.40831169627634 (0.000521922% change) linmin: converged after 3 iterations. iteration 442: trace = 2.40829053587938 (0.000878644% change) linmin: converged after 5 iterations. iteration 443: trace = 2.408267955796463 (0.000937602% change) linmin: converged after 5 iterations. iteration 444: trace = 2.408251629156538 (0.000677943% change) large trace change predicted (0.00177254%) linmin: converged after 4 iterations. iteration 445: trace = 2.408208935315483 (0.00177283% change) linmin: converged after 10 iterations. iteration 446: trace = 2.408188852947106 (0.000833917% change) large trace change predicted (0.00302169%) linmin: converged after 6 iterations. iteration 447: trace = 2.408116129935441 (0.00301987% change) linmin: converged after 7 iterations. iteration 448: trace = 2.40804441074114 (0.00297827% change) linmin: converged after 4 iterations. iteration 449: trace = 2.407969059358527 (0.0031292% change) linmin: converged after 6 iterations. iteration 450: trace = 2.40783290126076 (0.00565464% change) linmin: converged after 4 iterations. iteration 451: trace = 2.407787768231651 (0.00187444% change) large trace change predicted (0.00463887%) linmin: converged after 5 iterations. iteration 452: trace = 2.407676120668092 (0.00463704% change) linmin: converged after 4 iterations. iteration 453: trace = 2.407607314357823 (0.00285783% change) linmin: converged after 3 iterations. iteration 454: trace = 2.407564823508349 (0.00176487% change) linmin: converged after 4 iterations. iteration 455: trace = 2.407513187509442 (0.00214476% change) linmin: converged after 5 iterations. iteration 456: trace = 2.40749394583152 (0.000799238% change) linmin: converged after 4 iterations. iteration 457: trace = 2.407465317183599 (0.00118915% change) linmin: converged after 5 iterations. iteration 458: trace = 2.407435285463889 (0.00124745% change) linmin: converged after 5 iterations. iteration 459: trace = 2.407421231867624 (0.00058376% change) linmin: converged after 5 iterations. iteration 460: trace = 2.40739663858308 (0.00102157% change) linmin: converged after 8 iterations. iteration 461: trace = 2.407391869825743 (0.000198088% change) large trace change predicted (0.000405187%) linmin: converged after 4 iterations. iteration 462: trace = 2.407382117554732 (0.000405098% change) linmin: converged after 5 iterations. iteration 463: trace = 2.407371988739161 (0.000420741% change) linmin: converged after 6 iterations. iteration 464: trace = 2.407368323197194 (0.000152263% change) large trace change predicted (0.000819017%) linmin: converged after 5 iterations. iteration 465: trace = 2.407348608001826 (0.000818956% change) linmin: converged after 5 iterations. iteration 466: trace = 2.407320938714247 (0.00114937% change) linmin: converged after 10 iterations. iteration 467: trace = 2.407297733660633 (0.000963941% change) large trace change predicted (0.00228594%) linmin: converged after 5 iterations. iteration 468: trace = 2.407242723373789 (0.00228517% change) linmin: converged after 8 iterations. iteration 469: trace = 2.40720654781344 (0.00150279% change) linmin: converged after 5 iterations. iteration 470: trace = 2.407146306511494 (0.00250257% change) linmin: converged after 5 iterations. iteration 471: trace = 2.407082264152309 (0.00266055% change) linmin: converged after 5 iterations. iteration 472: trace = 2.407055848581008 (0.00109742% change) large trace change predicted (0.00355969%) linmin: converged after 5 iterations. iteration 473: trace = 2.406970224177726 (0.00355729% change) linmin: converged after 8 iterations. iteration 474: trace = 2.406956562906117 (0.000567573% change) large trace change predicted (0.0017044%) linmin: converged after 3 iterations. iteration 475: trace = 2.406915548994534 (0.00170399% change) linmin: converged after 7 iterations. iteration 476: trace = 2.406896101819472 (0.000807974% change) linmin: converged after 7 iterations. iteration 477: trace = 2.406882530887512 (0.000563837% change) linmin: converged after 6 iterations. iteration 478: trace = 2.406855988103139 (0.00110279% change) linmin: converged after 7 iterations. iteration 479: trace = 2.406843128840322 (0.000534278% change) large trace change predicted (0.00111275%) linmin: converged after 5 iterations. iteration 480: trace = 2.406816356440344 (0.00111235% change) linmin: converged after 9 iterations. iteration 481: trace = 2.40679921446282 (0.000712229% change) linmin: converged after 4 iterations. iteration 482: trace = 2.406787672923606 (0.00047954% change) linmin: converged after 5 iterations. iteration 483: trace = 2.406766457621487 (0.000881482% change) linmin: converged after 6 iterations. iteration 484: trace = 2.40675655400014 (0.000411492% change) linmin: converged after 4 iterations. iteration 485: trace = 2.406743704842799 (0.00053388% change) linmin: converged after 8 iterations. iteration 486: trace = 2.406726019593901 (0.000734823% change) linmin: converged after 5 iterations. iteration 487: trace = 2.406709523673084 (0.000685412% change) large trace change predicted (0.00224017%) linmin: converged after 3 iterations. iteration 488: trace = 2.406655634442125 (0.00223915% change) linmin: converged after 5 iterations. iteration 489: trace = 2.406607921499178 (0.00198256% change) resetting CG direction... linmin: converged after 6 iterations. iteration 490: trace = 2.406577353469841 (0.00127018% change) linmin: converged after 3 iterations. iteration 491: trace = 2.406535606840011 (0.0017347% change) linmin: converged after 5 iterations. iteration 492: trace = 2.406515557267451 (0.000833134% change) linmin: converged after 5 iterations. iteration 493: trace = 2.406494854422019 (0.000860287% change) linmin: converged after 5 iterations. iteration 494: trace = 2.40648216873415 (0.000527145% change) linmin: converged after 4 iterations. iteration 495: trace = 2.406469747133563 (0.000516174% change) linmin: converged after 3 iterations. iteration 496: trace = 2.406458604675681 (0.000463022% change) linmin: converged after 5 iterations. iteration 497: trace = 2.40644924364477 (0.000388997% change) linmin: converged after 5 iterations. iteration 498: trace = 2.406436362949932 (0.000535259% change) linmin: converged after 5 iterations. iteration 499: trace = 2.406425912722062 (0.000434262% change) linmin: converged after 8 iterations. iteration 500: trace = 2.406408206195094 (0.000735805% change) linmin: converged after 5 iterations. iteration 501: trace = 2.406399831903613 (0.000348% change) large trace change predicted (0.00102533%) linmin: converged after 4 iterations. iteration 502: trace = 2.406375162572453 (0.00102516% change) linmin: converged after 6 iterations. iteration 503: trace = 2.406368754749756 (0.000266286% change) large trace change predicted (0.000956394%) linmin: converged after 6 iterations. iteration 504: trace = 2.40634574424264 (0.000956238% change) linmin: converged after 5 iterations. iteration 505: trace = 2.40633634165313 (0.000390742% change) large trace change predicted (0.00104053%) linmin: converged after 7 iterations. iteration 506: trace = 2.406311303663279 (0.00104051% change) linmin: converged after 3 iterations. iteration 507: trace = 2.406282012293107 (0.00121728% change) linmin: converged after 6 iterations. iteration 508: trace = 2.406252394795445 (0.00123085% change) large trace change predicted (0.00287277%) linmin: converged after 3 iterations. iteration 509: trace = 2.406183275736447 (0.00287252% change) linmin: converged after 5 iterations. iteration 510: trace = 2.406167799963178 (0.000643169% change) large trace change predicted (0.00310487%) linmin: converged after 3 iterations. iteration 511: trace = 2.406093092633135 (0.00310487% change) linmin: converged after 6 iterations. iteration 512: trace = 2.40606550935689 (0.0011464% change) linmin: converged after 4 iterations. iteration 513: trace = 2.406030763884062 (0.00144409% change) linmin: converged after 5 iterations. iteration 514: trace = 2.405985200000722 (0.00189375% change) linmin: converged after 6 iterations. iteration 515: trace = 2.405977083049585 (0.000337366% change) large trace change predicted (0.000846986%) linmin: converged after 5 iterations. iteration 516: trace = 2.405956703960279 (0.000847023% change) linmin: converged after 5 iterations. iteration 517: trace = 2.405948889548555 (0.000324795% change) linmin: converged after 4 iterations. iteration 518: trace = 2.405942061190459 (0.000283812% change) linmin: converged after 6 iterations. iteration 519: trace = 2.405932907864458 (0.000380447% change) linmin: converged after 4 iterations. iteration 520: trace = 2.405927320727572 (0.000232224% change) large trace change predicted (0.000801157%) linmin: converged after 3 iterations. iteration 521: trace = 2.405908049116966 (0.000801009% change) linmin: converged after 3 iterations. iteration 522: trace = 2.405888764793276 (0.000801544% change) linmin: converged after 5 iterations. iteration 523: trace = 2.405870443131441 (0.000761537% change) large trace change predicted (0.00173729%) linmin: converged after 5 iterations. iteration 524: trace = 2.405828663686648 (0.00173658% change) linmin: converged after 3 iterations. iteration 525: trace = 2.405806952981375 (0.000902425% change) large trace change predicted (0.00211944%) linmin: converged after 5 iterations. iteration 526: trace = 2.405755987820135 (0.00211845% change) linmin: converged after 4 iterations. iteration 527: trace = 2.405709075327722 (0.00195003% change) linmin: converged after 8 iterations. iteration 528: trace = 2.405669623857619 (0.00163992% change) large trace change predicted (0.00463582%) linmin: converged after 5 iterations. iteration 529: trace = 2.405558119950058 (0.00463515% change) linmin: converged after 5 iterations. iteration 530: trace = 2.405513842306455 (0.00184066% change) large trace change predicted (0.00507465%) linmin: converged after 3 iterations. iteration 531: trace = 2.405391805640254 (0.00507333% change) linmin: converged after 5 iterations. iteration 532: trace = 2.405302776466054 (0.0037013% change) linmin: converged after 6 iterations. iteration 533: trace = 2.405225670469314 (0.00320572% change) linmin: converged after 5 iterations. iteration 534: trace = 2.405125384558691 (0.00416959% change) linmin: converged after 4 iterations. iteration 535: trace = 2.405094607781826 (0.00127964% change) large trace change predicted (0.00304987%) linmin: converged after 9 iterations. iteration 536: trace = 2.405021257228067 (0.00304985% change) linmin: converged after 4 iterations. iteration 537: trace = 2.405009384037696 (0.000493685% change) large trace change predicted (0.00132184%) linmin: converged after 4 iterations. iteration 538: trace = 2.404977586892497 (0.00132213% change) linmin: converged after 6 iterations. iteration 539: trace = 2.404959988643492 (0.000731745% change) linmin: converged after 5 iterations. iteration 540: trace = 2.404946988248541 (0.000540567% change) large trace change predicted (0.0015967%) linmin: converged after 5 iterations. iteration 541: trace = 2.404908573238 (0.00159735% change) linmin: converged after 6 iterations. iteration 542: trace = 2.404896154483712 (0.000516393% change) large trace change predicted (0.00287666%) linmin: converged after 4 iterations. iteration 543: trace = 2.404826963510332 (0.00287713% change) linmin: converged after 6 iterations. iteration 544: trace = 2.404787406254018 (0.00164492% change) linmin: converged after 5 iterations. iteration 545: trace = 2.404736044893518 (0.00213582% change) large trace change predicted (0.00443929%) linmin: converged after 3 iterations. iteration 546: trace = 2.404629294934921 (0.00443925% change) linmin: converged after 6 iterations. iteration 547: trace = 2.4045845791738 (0.00185959% change) large trace change predicted (0.00466007%) linmin: converged after 4 iterations. iteration 548: trace = 2.404472586290214 (0.00465758% change) linmin: converged after 6 iterations. iteration 549: trace = 2.404434488341275 (0.00158447% change) large trace change predicted (0.00443587%) linmin: converged after 4 iterations. iteration 550: trace = 2.404327823952165 (0.00443625% change) linmin: converged after 4 iterations. iteration 551: trace = 2.404304216127492 (0.000981894% change) large trace change predicted (0.00258222%) linmin: converged after 7 iterations. iteration 552: trace = 2.404242123612877 (0.00258259% change) linmin: converged after 12 iterations. iteration 553: trace = 2.404215922729015 (0.00108978% change) linmin: converged after 5 iterations. iteration 554: trace = 2.404164655472735 (0.00213241% change) linmin: converged after 5 iterations. iteration 555: trace = 2.404122910393553 (0.00173638% change) linmin: converged after 4 iterations. iteration 556: trace = 2.404058275216116 (0.00268855% change) linmin: converged after 8 iterations. iteration 557: trace = 2.404006846623001 (0.00213926% change) linmin: converged after 5 iterations. iteration 558: trace = 2.403950806811292 (0.00233113% change) linmin: converged after 6 iterations. iteration 559: trace = 2.403897883883366 (0.00220152% change) resetting CG direction... linmin: converged after 6 iterations. iteration 560: trace = 2.403878736992528 (0.000796497% change) linmin: converged after 4 iterations. iteration 561: trace = 2.403846928345224 (0.00132323% change) linmin: converged after 6 iterations. iteration 562: trace = 2.403824804924251 (0.000920338% change) linmin: converged after 4 iterations. iteration 563: trace = 2.40380664787852 (0.000755343% change) large trace change predicted (0.00190861%) linmin: converged after 4 iterations. iteration 564: trace = 2.403760773619517 (0.00190842% change) linmin: converged after 6 iterations. iteration 565: trace = 2.403736551598012 (0.00100768% change) large trace change predicted (0.00387845%) linmin: converged after 4 iterations. iteration 566: trace = 2.403643348766122 (0.00387749% change) linmin: converged after 7 iterations. iteration 567: trace = 2.403544438471036 (0.0041151% change) linmin: converged after 4 iterations. iteration 568: trace = 2.40348158036816 (0.00261526% change) linmin: converged after 7 iterations. iteration 569: trace = 2.403363671687726 (0.00490587% change) linmin: converged after 5 iterations. iteration 570: trace = 2.403297018360325 (0.00277337% change) linmin: converged after 5 iterations. iteration 571: trace = 2.403255147059998 (0.00174226% change) linmin: converged after 6 iterations. iteration 572: trace = 2.40317455990013 (0.00335331% change) linmin: converged after 6 iterations. iteration 573: trace = 2.403154186498361 (0.000847774% change) large trace change predicted (0.00360817%) linmin: converged after 4 iterations. iteration 574: trace = 2.4030674909499 (0.00360764% change) linmin: converged after 4 iterations. iteration 575: trace = 2.403012650267774 (0.00228214% change) linmin: converged after 3 iterations. iteration 576: trace = 2.402962873066075 (0.00207147% change) linmin: converged after 3 iterations. iteration 577: trace = 2.402919977614044 (0.00178512% change) linmin: converged after 4 iterations. iteration 578: trace = 2.402896733822861 (0.000967319% change) large trace change predicted (0.00204625%) linmin: converged after 5 iterations. iteration 579: trace = 2.402847577715611 (0.00204572% change) linmin: converged after 4 iterations. iteration 580: trace = 2.402807033410863 (0.00168736% change) linmin: converged after 3 iterations. iteration 581: trace = 2.402777532535984 (0.00122777% change) linmin: converged after 3 iterations. iteration 582: trace = 2.402739930900951 (0.00156494% change) linmin: converged after 5 iterations. iteration 583: trace = 2.402720125343526 (0.000824294% change) linmin: converged after 4 iterations. iteration 584: trace = 2.402687763069366 (0.00134691% change) large trace change predicted (0.00290311%) linmin: converged after 5 iterations. iteration 585: trace = 2.402618052886326 (0.00290138% change) linmin: converged after 5 iterations. iteration 586: trace = 2.402590772605703 (0.00113545% change) large trace change predicted (0.00576794%) linmin: converged after 9 iterations. iteration 587: trace = 2.402452368751609 (0.00576077% change) linmin: converged after 3 iterations. iteration 588: trace = 2.402340839589299 (0.00464241% change) linmin: converged after 7 iterations. iteration 589: trace = 2.402226500440043 (0.0047596% change) linmin: converged after 5 iterations. iteration 590: trace = 2.402094160427195 (0.00550921% change) linmin: converged after 4 iterations. iteration 591: trace = 2.402028738734665 (0.00272356% change) linmin: converged after 8 iterations. iteration 592: trace = 2.40193632985058 (0.00384719% change) linmin: converged after 5 iterations. iteration 593: trace = 2.401875892730049 (0.00251621% change) linmin: converged after 12 iterations. iteration 594: trace = 2.40185769126464 (0.000757805% change) large trace change predicted (0.00158397%) linmin: converged after 4 iterations. iteration 595: trace = 2.401819651080237 (0.00158379% change) linmin: converged after 3 iterations. iteration 596: trace = 2.401807708348334 (0.000497238% change) linmin: converged after 4 iterations. iteration 597: trace = 2.401792593061487 (0.000629332% change) linmin: converged after 5 iterations. iteration 598: trace = 2.401768947664185 (0.000984494% change) linmin: converged after 6 iterations. iteration 599: trace = 2.401762216460676 (0.000280261% change) large trace change predicted (0.00105261%) linmin: converged after 3 iterations. iteration 600: trace = 2.4017369389012 (0.00105246% change) linmin: converged after 6 iterations. iteration 601: trace = 2.401727062384461 (0.000411225% change) linmin: converged after 5 iterations. iteration 602: trace = 2.401714255105116 (0.000533254% change) linmin: converged after 4 iterations. iteration 603: trace = 2.4016968970432 (0.000722739% change) linmin: converged after 6 iterations. iteration 604: trace = 2.401688806682655 (0.000336861% change) large trace change predicted (0.00113936%) linmin: converged after 7 iterations. iteration 605: trace = 2.401661449259016 (0.0011391% change) linmin: converged after 4 iterations. iteration 606: trace = 2.401620882925068 (0.00168911% change) linmin: converged after 13 iterations. iteration 607: trace = 2.401575027100097 (0.00190939% change) large trace change predicted (0.00394296%) linmin: converged after 3 iterations. iteration 608: trace = 2.401480388969659 (0.00394075% change) linmin: converged after 5 iterations. iteration 609: trace = 2.401406990288653 (0.00305644% change) linmin: converged after 8 iterations. iteration 610: trace = 2.401317376248728 (0.0037318% change) linmin: converged after 5 iterations. iteration 611: trace = 2.401245887182211 (0.00297712% change) linmin: converged after 5 iterations. iteration 612: trace = 2.401228773172378 (0.000712716% change) large trace change predicted (0.00156302%) linmin: converged after 5 iterations. iteration 613: trace = 2.4011912330083 (0.00156339% change) linmin: converged after 5 iterations. iteration 614: trace = 2.401176877196626 (0.000597864% change) linmin: converged after 6 iterations. iteration 615: trace = 2.401157429605223 (0.000809922% change) linmin: converged after 5 iterations. iteration 616: trace = 2.401137025417903 (0.000849768% change) linmin: converged after 5 iterations. iteration 617: trace = 2.401129955714504 (0.000294432% change) large trace change predicted (0.000844026%) linmin: converged after 4 iterations. iteration 618: trace = 2.401109689483699 (0.000844032% change) linmin: converged after 5 iterations. iteration 619: trace = 2.401091065937965 (0.000775625% change) linmin: converged after 5 iterations. iteration 620: trace = 2.401073869481546 (0.000716196% change) linmin: converged after 5 iterations. iteration 621: trace = 2.401045611149328 (0.00117691% change) linmin: converged after 5 iterations. iteration 622: trace = 2.401024789401927 (0.000867199% change) linmin: converged after 7 iterations. iteration 623: trace = 2.400985585103309 (0.00163283% change) linmin: converged after 5 iterations. iteration 624: trace = 2.400950516491264 (0.0014606% change) linmin: converged after 6 iterations. iteration 625: trace = 2.400921724514769 (0.0011992% change) large trace change predicted (0.00442853%) linmin: converged after 5 iterations. iteration 626: trace = 2.400815436912767 (0.00442705% change) linmin: converged after 5 iterations. iteration 627: trace = 2.400758891856712 (0.00235527% change) linmin: converged after 4 iterations. iteration 628: trace = 2.400674889902897 (0.00349904% change) linmin: converged after 5 iterations. iteration 629: trace = 2.400539021663387 (0.00565975% change) resetting CG direction... linmin: converged after 6 iterations. iteration 630: trace = 2.400448940520251 (0.00375261% change) linmin: converged after 8 iterations. iteration 631: trace = 2.400371093998 (0.00324305% change) linmin: converged after 5 iterations. iteration 632: trace = 2.40029571307695 (0.00314044% change) linmin: converged after 5 iterations. iteration 633: trace = 2.400212714335126 (0.00345791% change) linmin: converged after 4 iterations. iteration 634: trace = 2.40014741730044 (0.00272051% change) linmin: converged after 3 iterations. iteration 635: trace = 2.400133591440214 (0.000576044% change) large trace change predicted (0.00171384%) linmin: converged after 5 iterations. iteration 636: trace = 2.40009246268975 (0.00171362% change) linmin: converged after 5 iterations. iteration 637: trace = 2.400072356913596 (0.000837712% change) linmin: converged after 5 iterations. iteration 638: trace = 2.400056653307066 (0.000654299% change) linmin: converged after 3 iterations. iteration 639: trace = 2.400032143309593 (0.00102123% change) linmin: converged after 5 iterations. iteration 640: trace = 2.40002288274058 (0.000385853% change) large trace change predicted (0.000883049%) linmin: converged after 13 iterations. iteration 641: trace = 2.400001691594345 (0.00088296% change) linmin: converged after 4 iterations. iteration 642: trace = 2.399982044273439 (0.000818641% change) linmin: converged after 4 iterations. iteration 643: trace = 2.399976069778171 (0.000248939% change) large trace change predicted (0.0010033%) linmin: converged after 3 iterations. iteration 644: trace = 2.399951987441472 (0.00100345% change) linmin: converged after 8 iterations. iteration 645: trace = 2.39993237997668 (0.000816997% change) linmin: converged after 5 iterations. iteration 646: trace = 2.399910671704903 (0.000904541% change) large trace change predicted (0.00251589%) linmin: converged after 3 iterations. iteration 647: trace = 2.399850284857141 (0.00251624% change) linmin: converged after 5 iterations. iteration 648: trace = 2.399829116036321 (0.000882093% change) large trace change predicted (0.00376049%) linmin: converged after 4 iterations. iteration 649: trace = 2.399738897782539 (0.00375943% change) linmin: converged after 4 iterations. iteration 650: trace = 2.399670075442045 (0.00286795% change) linmin: converged after 5 iterations. iteration 651: trace = 2.399601011617795 (0.0028781% change) linmin: converged after 5 iterations. iteration 652: trace = 2.399548364891094 (0.002194% change) linmin: converged after 4 iterations. iteration 653: trace = 2.399520651546327 (0.00115495% change) linmin: converged after 3 iterations. iteration 654: trace = 2.399494804205672 (0.00107719% change) linmin: converged after 5 iterations. iteration 655: trace = 2.399480070121222 (0.000614051% change) linmin: converged after 6 iterations. iteration 656: trace = 2.399470795435928 (0.00038653% change) linmin: converged after 3 iterations. iteration 657: trace = 2.399454389865875 (0.000683719% change) linmin: converged after 3 iterations. iteration 658: trace = 2.399445758108693 (0.000359739% change) linmin: converged after 4 iterations. iteration 659: trace = 2.399429786331971 (0.000665647% change) linmin: converged after 4 iterations. iteration 660: trace = 2.399407385281236 (0.000933603% change) linmin: converged after 5 iterations. iteration 661: trace = 2.399400282885068 (0.000296007% change) large trace change predicted (0.00109265%) linmin: converged after 4 iterations. iteration 662: trace = 2.399374067441653 (0.00109259% change) linmin: converged after 2 iterations. iteration 663: trace = 2.399347448526156 (0.00110942% change) linmin: converged after 5 iterations. iteration 664: trace = 2.399318769618348 (0.00119529% change) linmin: converged after 3 iterations. iteration 665: trace = 2.399261852897858 (0.00237223% change) linmin: converged after 5 iterations. iteration 666: trace = 2.399224078485799 (0.00157443% change) linmin: converged after 6 iterations. iteration 667: trace = 2.399149865363118 (0.00309326% change) linmin: converged after 4 iterations. iteration 668: trace = 2.399045479083078 (0.00435106% change) linmin: converged after 5 iterations. iteration 669: trace = 2.398983133645272 (0.00259879% change) large trace change predicted (0.00770133%) linmin: converged after 6 iterations. iteration 670: trace = 2.398798508777453 (0.00769626% change) linmin: converged after 4 iterations. iteration 671: trace = 2.398750961747214 (0.00198214% change) linmin: converged after 5 iterations. iteration 672: trace = 2.398656098098674 (0.00395479% change) linmin: converged after 5 iterations. iteration 673: trace = 2.398623906945157 (0.00134206% change) linmin: converged after 4 iterations. iteration 674: trace = 2.398590914172487 (0.0013755% change) linmin: converged after 5 iterations. iteration 675: trace = 2.398551154052113 (0.00165766% change) linmin: converged after 5 iterations. iteration 676: trace = 2.398538875067128 (0.000511935% change) large trace change predicted (0.00181828%) linmin: converged after 5 iterations. iteration 677: trace = 2.398495268381243 (0.00181807% change) linmin: converged after 3 iterations. iteration 678: trace = 2.398483221762058 (0.000502259% change) large trace change predicted (0.00130369%) linmin: converged after 3 iterations. iteration 679: trace = 2.398451938659577 (0.0013043% change) linmin: converged after 6 iterations. iteration 680: trace = 2.398417031338629 (0.00145542% change) linmin: converged after 5 iterations. iteration 681: trace = 2.398395109550561 (0.000914015% change) large trace change predicted (0.00298605%) linmin: converged after 8 iterations. iteration 682: trace = 2.398323449625818 (0.00298787% change) linmin: converged after 7 iterations. iteration 683: trace = 2.398292693103413 (0.00128243% change) large trace change predicted (0.00328961%) linmin: converged after 4 iterations. iteration 684: trace = 2.398213734195218 (0.00329235% change) linmin: converged after 4 iterations. iteration 685: trace = 2.398151947224186 (0.00257641% change) linmin: converged after 4 iterations. iteration 686: trace = 2.398116045969583 (0.00149705% change) linmin: converged after 4 iterations. iteration 687: trace = 2.398057448788226 (0.0024435% change) linmin: converged after 6 iterations. iteration 688: trace = 2.398025803033653 (0.00131965% change) linmin: converged after 3 iterations. iteration 689: trace = 2.397968309028343 (0.00239758% change) linmin: converged after 5 iterations. iteration 690: trace = 2.397902171888899 (0.00275809% change) linmin: converged after 4 iterations. iteration 691: trace = 2.397833284827112 (0.00287285% change) linmin: converged after 4 iterations. iteration 692: trace = 2.397760860037896 (0.00302047% change) linmin: converged after 4 iterations. iteration 693: trace = 2.397733520417618 (0.00114022% change) linmin: converged after 4 iterations. iteration 694: trace = 2.397694622929557 (0.00162227% change) linmin: converged after 5 iterations. iteration 695: trace = 2.39767835630367 (0.00067843% change) linmin: converged after 4 iterations. iteration 696: trace = 2.397661745955241 (0.00069277% change) linmin: converged after 4 iterations. iteration 697: trace = 2.397645132146407 (0.00069292% change) linmin: converged after 5 iterations. iteration 698: trace = 2.397638068288229 (0.000294617% change) large trace change predicted (0.00165669%) linmin: converged after 5 iterations. iteration 699: trace = 2.397598347211788 (0.00165669% change) resetting CG direction... linmin: converged after 7 iterations. iteration 700: trace = 2.39758239410961 (0.000665381% change) linmin: converged after 5 iterations. iteration 701: trace = 2.397560443954596 (0.000915516% change) linmin: converged after 3 iterations. iteration 702: trace = 2.397545454380746 (0.000625203% change) linmin: converged after 6 iterations. iteration 703: trace = 2.397538502714289 (0.00028995% change) large trace change predicted (0.00101637%) linmin: converged after 4 iterations. iteration 704: trace = 2.397514137251211 (0.00101628% change) linmin: converged after 5 iterations. iteration 705: trace = 2.397487682420538 (0.00110343% change) linmin: converged after 5 iterations. iteration 706: trace = 2.397462487788958 (0.00105088% change) large trace change predicted (0.00331332%) linmin: converged after 6 iterations. iteration 707: trace = 2.397383085367669 (0.00331199% change) linmin: converged after 4 iterations. iteration 708: trace = 2.397357524252455 (0.00106621% change) large trace change predicted (0.0028161%) linmin: converged after 3 iterations. iteration 709: trace = 2.397290013001008 (0.00281611% change) linmin: converged after 4 iterations. iteration 710: trace = 2.397218757445285 (0.00297238% change) linmin: converged after 4 iterations. iteration 711: trace = 2.397199565464883 (0.000800597% change) large trace change predicted (0.00324724%) linmin: converged after 3 iterations. iteration 712: trace = 2.397121751801342 (0.00324608% change) linmin: converged after 6 iterations. iteration 713: trace = 2.397095605362654 (0.00109075% change) large trace change predicted (0.00230687%) linmin: converged after 5 iterations. iteration 714: trace = 2.397040332562358 (0.00230585% change) linmin: converged after 3 iterations. iteration 715: trace = 2.396987519520442 (0.00220328% change) linmin: converged after 4 iterations. iteration 716: trace = 2.396960538556553 (0.00112563% change) linmin: converged after 8 iterations. iteration 717: trace = 2.396910801167665 (0.00207504% change) linmin: converged after 5 iterations. iteration 718: trace = 2.396865981324696 (0.00186992% change) linmin: converged after 5 iterations. iteration 719: trace = 2.396844753180099 (0.000885666% change) linmin: converged after 3 iterations. iteration 720: trace = 2.396807971416041 (0.0015346% change) linmin: converged after 4 iterations. iteration 721: trace = 2.396794629674081 (0.000556648% change) linmin: converged after 5 iterations. iteration 722: trace = 2.396769430129229 (0.00105139% change) linmin: converged after 6 iterations. iteration 723: trace = 2.396746799016373 (0.000944238% change) linmin: converged after 5 iterations. iteration 724: trace = 2.396737231229561 (0.0003992% change) large trace change predicted (0.00148121%) linmin: converged after 3 iterations. iteration 725: trace = 2.396701734334349 (0.00148106% change) linmin: converged after 4 iterations. iteration 726: trace = 2.396684811167906 (0.000706105% change) large trace change predicted (0.00257885%) linmin: converged after 3 iterations. iteration 727: trace = 2.396623013363413 (0.0025785% change) linmin: converged after 5 iterations. iteration 728: trace = 2.396562471766473 (0.00252615% change) linmin: converged after 4 iterations. iteration 729: trace = 2.396485807362582 (0.00319898% change) linmin: converged after 4 iterations. iteration 730: trace = 2.396398629990256 (0.00363778% change) linmin: converged after 5 iterations. iteration 731: trace = 2.396364140161586 (0.00143925% change) large trace change predicted (0.00343283%) linmin: converged after 4 iterations. iteration 732: trace = 2.396281906195748 (0.00343167% change) linmin: converged after 5 iterations. iteration 733: trace = 2.396257498895117 (0.00101855% change) large trace change predicted (0.00238498%) linmin: converged after 5 iterations. iteration 734: trace = 2.396200374211696 (0.00238394% change) linmin: converged after 3 iterations. iteration 735: trace = 2.396187510478526 (0.00053684% change) large trace change predicted (0.0010834%) linmin: converged after 4 iterations. iteration 736: trace = 2.396161559473703 (0.00108302% change) linmin: converged after 6 iterations. iteration 737: trace = 2.3961481230029 (0.000560751% change) linmin: converged after 9 iterations. iteration 738: trace = 2.396141443781758 (0.000278749% change) large trace change predicted (0.000670855%) linmin: converged after 5 iterations. iteration 739: trace = 2.396125373143394 (0.00067069% change) linmin: converged after 5 iterations. iteration 740: trace = 2.396120352721215 (0.000209523% change) large trace change predicted (0.000748139%) linmin: converged after 10 iterations. iteration 741: trace = 2.396102427987452 (0.000748076% change) linmin: converged after 8 iterations. iteration 742: trace = 2.396097685709103 (0.000197917% change) linmin: converged after 4 iterations. iteration 743: trace = 2.39608858187457 (0.000379945% change) linmin: converged after 4 iterations. iteration 744: trace = 2.396080477902917 (0.000338217% change) linmin: converged after 5 iterations. iteration 745: trace = 2.396075994320579 (0.000187122% change) large trace change predicted (0.000530055%) linmin: converged after 7 iterations. iteration 746: trace = 2.396063294660862 (0.00053002% change) linmin: converged after 5 iterations. iteration 747: trace = 2.39605513662636 (0.000340477% change) large trace change predicted (0.00128155%) linmin: converged after 4 iterations. iteration 748: trace = 2.39602443907263 (0.00128118% change) linmin: converged after 8 iterations. iteration 749: trace = 2.396006591380845 (0.00074489% change) large trace change predicted (0.00186507%) linmin: converged after 5 iterations. iteration 750: trace = 2.395961906998437 (0.00186497% change) linmin: converged after 8 iterations. iteration 751: trace = 2.395927109489925 (0.00145235% change) linmin: converged after 7 iterations. iteration 752: trace = 2.395890786887048 (0.00151603% change) linmin: converged after 8 iterations. iteration 753: trace = 2.395866619214188 (0.00100872% change) linmin: converged after 4 iterations. iteration 754: trace = 2.395835828704396 (0.00128516% change) linmin: converged after 7 iterations. iteration 755: trace = 2.395818046340084 (0.000742222% change) linmin: converged after 6 iterations. iteration 756: trace = 2.395795347878103 (0.000947425% change) linmin: converged after 6 iterations. iteration 757: trace = 2.395778228352431 (0.000714568% change) linmin: converged after 3 iterations. iteration 758: trace = 2.395769799862759 (0.000351807% change) linmin: converged after 7 iterations. iteration 759: trace = 2.395759081764716 (0.000447377% change) linmin: converged after 3 iterations. iteration 760: trace = 2.39575280926562 (0.000261817% change) linmin: converged after 5 iterations. iteration 761: trace = 2.39574707387441 (0.000239399% change) linmin: converged after 5 iterations. iteration 762: trace = 2.395737719989556 (0.000390438% change) linmin: converged after 5 iterations. iteration 763: trace = 2.395733826987011 (0.000162497% change) large trace change predicted (0.000701611%) linmin: converged after 8 iterations. iteration 764: trace = 2.395717020918321 (0.000701502% change) linmin: converged after 3 iterations. iteration 765: trace = 2.395713145706522 (0.000161756% change) large trace change predicted (0.000956725%) linmin: converged after 5 iterations. iteration 766: trace = 2.395690221195577 (0.000956902% change) linmin: converged after 8 iterations. iteration 767: trace = 2.395682105396979 (0.000338767% change) large trace change predicted (0.000729102%) linmin: converged after 4 iterations. iteration 768: trace = 2.395664636191873 (0.000729198% change) linmin: converged after 5 iterations. iteration 769: trace = 2.395652041868552 (0.000525715% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.395642452366607 (0.000400289% change) linmin: converged after 9 iterations. iteration 771: trace = 2.395629260225946 (0.000550674% change) linmin: converged after 3 iterations. iteration 772: trace = 2.395618048162598 (0.000468023% change) linmin: converged after 5 iterations. iteration 773: trace = 2.395610174871793 (0.000328654% change) linmin: converged after 3 iterations. iteration 774: trace = 2.395596566662333 (0.000568049% change) linmin: converged after 6 iterations. iteration 775: trace = 2.395590051652562 (0.000271958% change) large trace change predicted (0.000806528%) linmin: converged after 6 iterations. iteration 776: trace = 2.395570730932862 (0.000806515% change) linmin: converged after 5 iterations. iteration 777: trace = 2.395565290115732 (0.00022712% change) large trace change predicted (0.000498756%) linmin: converged after 4 iterations. iteration 778: trace = 2.395553340709094 (0.000498815% change) linmin: converged after 4 iterations. iteration 779: trace = 2.39554568390412 (0.000319626% change) linmin: converged after 17 iterations. iteration 780: trace = 2.395541431298903 (0.000177522% change) large trace change predicted (0.00049215%) linmin: converged after 4 iterations. iteration 781: trace = 2.395529642298953 (0.000492124% change) linmin: converged after 4 iterations. iteration 782: trace = 2.395525068614838 (0.000190926% change) large trace change predicted (0.00079864%) linmin: converged after 3 iterations. iteration 783: trace = 2.395505939577015 (0.000798535% change) linmin: converged after 6 iterations. iteration 784: trace = 2.395495457574481 (0.00043757% change) large trace change predicted (0.00153707%) linmin: converged after 4 iterations. iteration 785: trace = 2.395458640239006 (0.00153695% change) linmin: converged after 5 iterations. iteration 786: trace = 2.395426780773616 (0.00133% change) linmin: converged after 6 iterations. iteration 787: trace = 2.395395614327688 (0.00130109% change) linmin: converged after 4 iterations. iteration 788: trace = 2.395347753316066 (0.00199806% change) linmin: converged after 15 iterations. iteration 789: trace = 2.395336200484313 (0.000482304% change) large trace change predicted (0.00110779%) linmin: converged after 5 iterations. iteration 790: trace = 2.395309659115983 (0.00110805% change) linmin: converged after 5 iterations. iteration 791: trace = 2.395305541536678 (0.000171902% change) large trace change predicted (0.000426853%) linmin: converged after 4 iterations. iteration 792: trace = 2.395295317112858 (0.000426854% change) linmin: converged after 6 iterations. iteration 793: trace = 2.395291607935198 (0.000154853% change) linmin: converged after 4 iterations. iteration 794: trace = 2.395284881369466 (0.000280825% change) linmin: converged after 3 iterations. iteration 795: trace = 2.395282314882131 (0.000107148% change) large trace change predicted (0.000363795%) linmin: converged after 5 iterations. iteration 796: trace = 2.395273600083791 (0.000363832% change) linmin: converged after 5 iterations. iteration 797: trace = 2.395271223154673 (9.92342e-05% change) large trace change predicted (0.000340884%) linmin: converged after 2 iterations. iteration 798: trace = 2.39526305787462 (0.000340892% change) linmin: converged after 5 iterations. iteration 799: trace = 2.395260394965665 (0.000111174% change) large trace change predicted (0.000431369%) linmin: converged after 6 iterations. iteration 800: trace = 2.395250061116095 (0.00043143% change) linmin: converged after 4 iterations. iteration 801: trace = 2.395245413649938 (0.000194029% change) large trace change predicted (0.000569044%) linmin: converged after 4 iterations. iteration 802: trace = 2.395231784161364 (0.000569024% change) linmin: converged after 3 iterations. iteration 803: trace = 2.395223581441534 (0.000342461% change) linmin: converged after 5 iterations. iteration 804: trace = 2.395207934722523 (0.000653249% change) linmin: converged after 3 iterations. iteration 805: trace = 2.395196120649871 (0.000493239% change) linmin: converged after 5 iterations. iteration 806: trace = 2.395178716878824 (0.000726614% change) linmin: converged after 5 iterations. iteration 807: trace = 2.395148199747699 (0.00127411% change) linmin: converged after 5 iterations. iteration 808: trace = 2.395137434610638 (0.000449457% change) large trace change predicted (0.00167401%) linmin: converged after 4 iterations. iteration 809: trace = 2.395097334971058 (0.00167422% change) linmin: converged after 6 iterations. iteration 810: trace = 2.395079604739446 (0.000740275% change) large trace change predicted (0.00207408%) linmin: converged after 4 iterations. iteration 811: trace = 2.395029918711579 (0.00207453% change) linmin: converged after 6 iterations. iteration 812: trace = 2.395008690784144 (0.000886336% change) large trace change predicted (0.00240346%) linmin: converged after 7 iterations. iteration 813: trace = 2.394951105525065 (0.00240442% change) linmin: converged after 5 iterations. iteration 814: trace = 2.394938116298908 (0.00054236% change) large trace change predicted (0.00136867%) linmin: converged after 13 iterations. iteration 815: trace = 2.394905336611201 (0.00136872% change) linmin: converged after 6 iterations. iteration 816: trace = 2.394892346720609 (0.000542398% change) linmin: converged after 4 iterations. iteration 817: trace = 2.394879298712001 (0.000544828% change) linmin: converged after 7 iterations. iteration 818: trace = 2.394869403121697 (0.000413199% change) linmin: converged after 3 iterations. iteration 819: trace = 2.394861454864876 (0.000331887% change) linmin: converged after 5 iterations. iteration 820: trace = 2.394853691918189 (0.000324151% change) linmin: converged after 4 iterations. iteration 821: trace = 2.394847429933353 (0.000261477% change) linmin: converged after 7 iterations. iteration 822: trace = 2.394837501342926 (0.000414582% change) linmin: converged after 5 iterations. iteration 823: trace = 2.39483302852368 (0.000186769% change) large trace change predicted (0.000876756%) linmin: converged after 4 iterations. iteration 824: trace = 2.394812023301695 (0.00087711% change) linmin: converged after 6 iterations. iteration 825: trace = 2.394804586080783 (0.000310556% change) large trace change predicted (0.00093003%) linmin: converged after 3 iterations. iteration 826: trace = 2.394782307915482 (0.000930275% change) linmin: converged after 5 iterations. iteration 827: trace = 2.394769386045013 (0.000539586% change) large trace change predicted (0.00117236%) linmin: converged after 6 iterations. iteration 828: trace = 2.394741300849612 (0.00117278% change) linmin: converged after 5 iterations. iteration 829: trace = 2.394720862647654 (0.000853465% change) linmin: converged after 6 iterations. iteration 830: trace = 2.394704186977982 (0.000696354% change) linmin: converged after 4 iterations. iteration 831: trace = 2.394682849252985 (0.000891042% change) linmin: converged after 6 iterations. iteration 832: trace = 2.39467402733472 (0.000368397% change) large trace change predicted (0.00107963%) linmin: converged after 3 iterations. iteration 833: trace = 2.394648178904071 (0.00107942% change) linmin: converged after 6 iterations. iteration 834: trace = 2.394641160982183 (0.000293067% change) large trace change predicted (0.000861246%) linmin: converged after 6 iterations. iteration 835: trace = 2.394620539422801 (0.000861158% change) linmin: converged after 6 iterations. iteration 836: trace = 2.394608537546642 (0.000501203% change) linmin: converged after 4 iterations. iteration 837: trace = 2.394588612079556 (0.000832101% change) linmin: converged after 3 iterations. iteration 838: trace = 2.394574852354423 (0.000574619% change) linmin: converged after 5 iterations. iteration 839: trace = 2.39455216210991 (0.000947573% change) resetting CG direction... linmin: converged after 5 iterations. iteration 840: trace = 2.394540823701043 (0.00047351% change) linmin: converged after 4 iterations. iteration 841: trace = 2.394527776114812 (0.00054489% change) linmin: converged after 5 iterations. iteration 842: trace = 2.394523660121363 (0.000171892% change) linmin: converged after 6 iterations. iteration 843: trace = 2.394518063110889 (0.000233742% change) linmin: converged after 2 iterations. iteration 844: trace = 2.394509803044171 (0.000344958% change) linmin: converged after 5 iterations. iteration 845: trace = 2.394507760696138 (8.5293e-05% change) large trace change predicted (0.000436312%) linmin: converged after 4 iterations. iteration 846: trace = 2.394497313427193 (0.000436302% change) linmin: converged after 4 iterations. iteration 847: trace = 2.394490362233961 (0.000290299% change) linmin: converged after 6 iterations. iteration 848: trace = 2.394477476693619 (0.000538134% change) linmin: converged after 5 iterations. iteration 849: trace = 2.394464689887249 (0.000534014% change) linmin: converged after 5 iterations. iteration 850: trace = 2.394458144136741 (0.00027337% change) large trace change predicted (0.000877888%) linmin: converged after 5 iterations. iteration 851: trace = 2.394437132506152 (0.000877515% change) linmin: converged after 5 iterations. iteration 852: trace = 2.394410973238042 (0.00109251% change) linmin: converged after 5 iterations. iteration 853: trace = 2.394402272635757 (0.000363372% change) large trace change predicted (0.00121355%) linmin: converged after 4 iterations. iteration 854: trace = 2.394373229641932 (0.00121296% change) linmin: converged after 7 iterations. iteration 855: trace = 2.394354067564101 (0.000800299% change) linmin: converged after 8 iterations. iteration 856: trace = 2.39433372431924 (0.000849638% change) linmin: converged after 6 iterations. iteration 857: trace = 2.394297166381279 (0.00152686% change) linmin: converged after 5 iterations. iteration 858: trace = 2.394285767544338 (0.000476084% change) large trace change predicted (0.00159333%) linmin: converged after 4 iterations. iteration 859: trace = 2.394247622389388 (0.00159319% change) linmin: converged after 4 iterations. iteration 860: trace = 2.394233346506626 (0.000596259% change) linmin: converged after 6 iterations. iteration 861: trace = 2.394207819726012 (0.00106618% change) linmin: converged after 5 iterations. iteration 862: trace = 2.394195519026676 (0.00051377% change) linmin: converged after 5 iterations. iteration 863: trace = 2.394188993596345 (0.000272552% change) linmin: converged after 5 iterations. iteration 864: trace = 2.394182356903114 (0.0002772% change) linmin: converged after 5 iterations. iteration 865: trace = 2.394179333180336 (0.000126295% change) large trace change predicted (0.000328299%) linmin: converged after 5 iterations. iteration 866: trace = 2.394171473976929 (0.000328263% change) linmin: converged after 5 iterations. iteration 867: trace = 2.394161450734507 (0.000418653% change) linmin: converged after 4 iterations. iteration 868: trace = 2.394155805717717 (0.000235783% change) large trace change predicted (0.000528311%) linmin: converged after 5 iterations. iteration 869: trace = 2.39414315843689 (0.000528258% change) linmin: converged after 7 iterations. iteration 870: trace = 2.394130787986597 (0.000516698% change) linmin: converged after 6 iterations. iteration 871: trace = 2.394120900976059 (0.00041297% change) large trace change predicted (0.00112671%) linmin: converged after 4 iterations. iteration 872: trace = 2.39409393349801 (0.00112641% change) linmin: converged after 8 iterations. iteration 873: trace = 2.394087939782523 (0.000250355% change) large trace change predicted (0.000736548%) linmin: converged after 5 iterations. iteration 874: trace = 2.394070307241102 (0.000736506% change) linmin: converged after 5 iterations. iteration 875: trace = 2.394053220487694 (0.000713714% change) linmin: converged after 5 iterations. iteration 876: trace = 2.394047530589803 (0.000237668% change) linmin: converged after 7 iterations. iteration 877: trace = 2.394037289050395 (0.000427793% change) linmin: converged after 12 iterations. iteration 878: trace = 2.394028799022859 (0.000354633% change) linmin: converged after 17 iterations. iteration 879: trace = 2.394022136076078 (0.000278316% change) linmin: converged after 5 iterations. iteration 880: trace = 2.394012906652803 (0.00038552% change) linmin: converged after 14 iterations. iteration 881: trace = 2.394011176554337 (7.22677e-05% change) large trace change predicted (0.000190848%) linmin: converged after 5 iterations. iteration 882: trace = 2.394006607691629 (0.000190846% change) linmin: converged after 8 iterations. iteration 883: trace = 2.394004935452463 (6.98511e-05% change) linmin: converged after 6 iterations. iteration 884: trace = 2.394003356094164 (6.59714e-05% change) large trace change predicted (0.000162004%) linmin: converged after 3 iterations. iteration 885: trace = 2.39399947773438 (0.000162003% change) linmin: converged after 9 iterations. iteration 886: trace = 2.393997603098247 (7.83057e-05% change) large trace change predicted (0.000254067%) linmin: converged after 6 iterations. iteration 887: trace = 2.393991520849144 (0.000254063% change) linmin: converged after 6 iterations. iteration 888: trace = 2.393982081480052 (0.000394295% change) linmin: converged after 5 iterations. iteration 889: trace = 2.393976576528157 (0.00022995% change) large trace change predicted (0.000726596%) linmin: converged after 4 iterations. iteration 890: trace = 2.393959186647659 (0.000726404% change) linmin: converged after 5 iterations. iteration 891: trace = 2.393946679171171 (0.000522461% change) linmin: converged after 7 iterations. iteration 892: trace = 2.393929882918499 (0.000701616% change) linmin: converged after 5 iterations. iteration 893: trace = 2.393910467690303 (0.000811022% change) linmin: converged after 5 iterations. iteration 894: trace = 2.393901562763373 (0.000371983% change) linmin: converged after 8 iterations. iteration 895: trace = 2.393892916922695 (0.000361162% change) linmin: converged after 5 iterations. iteration 896: trace = 2.39389096458894 (8.15548e-05% change) large trace change predicted (0.000299648%) linmin: converged after 6 iterations. iteration 897: trace = 2.39388379195875 (0.000299623% change) linmin: converged after 3 iterations. iteration 898: trace = 2.393878750255292 (0.000210608% change) linmin: converged after 7 iterations. iteration 899: trace = 2.393875319777359 (0.000143302% change) linmin: converged after 6 iterations. iteration 900: trace = 2.39386880324487 (0.000272217% change) linmin: converged after 2 iterations. iteration 901: trace = 2.393865889782401 (0.000121705% change) large trace change predicted (0.000474624%) linmin: converged after 5 iterations. iteration 902: trace = 2.393854529225294 (0.000474571% change) linmin: converged after 6 iterations. iteration 903: trace = 2.393848780120372 (0.000240161% change) linmin: converged after 5 iterations. iteration 904: trace = 2.393843160881334 (0.000234737% change) linmin: converged after 5 iterations. iteration 905: trace = 2.393835197853341 (0.000332647% change) linmin: converged after 11 iterations. iteration 906: trace = 2.393830256097682 (0.000206437% change) linmin: converged after 5 iterations. iteration 907: trace = 2.393823740035774 (0.000272203% change) large trace change predicted (0.00131531%) linmin: converged after 3 iterations. iteration 908: trace = 2.393792263317471 (0.00131492% change) linmin: converged after 5 iterations. iteration 909: trace = 2.39377652602875 (0.000657423% change) resetting CG direction... linmin: converged after 7 iterations. iteration 910: trace = 2.39376330009675 (0.000552515% change) linmin: converged after 4 iterations. iteration 911: trace = 2.39374238845994 (0.000873592% change) linmin: converged after 4 iterations. iteration 912: trace = 2.393735033002682 (0.000307279% change) linmin: converged after 7 iterations. iteration 913: trace = 2.39372912334381 (0.000246881% change) linmin: converged after 4 iterations. iteration 914: trace = 2.393720884439127 (0.000344188% change) linmin: converged after 5 iterations. iteration 915: trace = 2.393716308546411 (0.000191163% change) linmin: converged after 10 iterations. iteration 916: trace = 2.39371181097369 (0.000187891% change) linmin: converged after 5 iterations. iteration 917: trace = 2.393704834491148 (0.000291451% change) linmin: converged after 6 iterations. iteration 918: trace = 2.393702382984916 (0.000102415% change) large trace change predicted (0.000250766%) linmin: converged after 4 iterations. iteration 919: trace = 2.393696380507142 (0.000250762% change) linmin: converged after 4 iterations. iteration 920: trace = 2.393693777334366 (0.000108751% change) linmin: converged after 3 iterations. iteration 921: trace = 2.39369060811919 (0.000132399% change) linmin: converged after 2 iterations. iteration 922: trace = 2.393685895928552 (0.000196859% change) linmin: converged after 5 iterations. iteration 923: trace = 2.393683127047675 (0.000115674% change) large trace change predicted (0.000244996%) linmin: converged after 5 iterations. iteration 924: trace = 2.393677261862061 (0.000245028% change) linmin: converged after 5 iterations. iteration 925: trace = 2.393669577398056 (0.000321032% change) linmin: converged after 8 iterations. iteration 926: trace = 2.393664634722948 (0.00020649% change) linmin: converged after 4 iterations. iteration 927: trace = 2.393656868232361 (0.000324461% change) linmin: converged after 5 iterations. iteration 928: trace = 2.393649260106471 (0.000317846% change) linmin: converged after 5 iterations. iteration 929: trace = 2.393637913421805 (0.000474034% change) linmin: converged after 6 iterations. iteration 930: trace = 2.393627845051446 (0.000420631% change) linmin: converged after 6 iterations. iteration 931: trace = 2.393623119731646 (0.000197413% change) linmin: converged after 11 iterations. iteration 932: trace = 2.393616613529423 (0.000271814% change) linmin: converged after 3 iterations. iteration 933: trace = 2.393614699545965 (7.9962e-05% change) linmin: converged after 2 iterations. iteration 934: trace = 2.393612284235905 (0.000100906% change) linmin: converged after 7 iterations. iteration 935: trace = 2.393609583419692 (0.000112834% change) linmin: converged after 10 iterations. iteration 936: trace = 2.393608895320764 (2.87473e-05% change) large trace change predicted (7.45291e-05%) linmin: converged after 5 iterations. iteration 937: trace = 2.393607111307217 (7.45324e-05% change) linmin: converged after 4 iterations. iteration 938: trace = 2.393606501000698 (2.54974e-05% change) large trace change predicted (0.00011861%) linmin: converged after 6 iterations. iteration 939: trace = 2.393603661892658 (0.000118612% change) linmin: converged after 6 iterations. iteration 940: trace = 2.393598716417863 (0.000206612% change) linmin: converged after 5 iterations. iteration 941: trace = 2.393596074406716 (0.000110378% change) large trace change predicted (0.000302045%) linmin: converged after 3 iterations. iteration 942: trace = 2.393588844334078 (0.000302059% change) linmin: converged after 4 iterations. iteration 943: trace = 2.393579358283505 (0.000396312% change) linmin: converged after 6 iterations. iteration 944: trace = 2.393575822360091 (0.000147725% change) large trace change predicted (0.000317736%) linmin: converged after 6 iterations. iteration 945: trace = 2.393568216785492 (0.00031775% change) linmin: converged after 6 iterations. iteration 946: trace = 2.393562163114726 (0.000252914% change) linmin: converged after 6 iterations. iteration 947: trace = 2.393555831024061 (0.000264547% change) linmin: converged after 4 iterations. iteration 948: trace = 2.393545423839673 (0.000434801% change) linmin: converged after 6 iterations. iteration 949: trace = 2.39354150132934 (0.000163879% change) large trace change predicted (0.000476617%) linmin: converged after 11 iterations. iteration 950: trace = 2.393530092315141 (0.000476659% change) linmin: converged after 2 iterations. iteration 951: trace = 2.393525465184724 (0.000193318% change) linmin: converged after 5 iterations. iteration 952: trace = 2.393521452365795 (0.000167653% change) linmin: converged after 8 iterations. iteration 953: trace = 2.393517957767596 (0.000146002% change) linmin: converged after 5 iterations. iteration 954: trace = 2.393516584892442 (5.73581e-05% change) large trace change predicted (0.000123131%) linmin: converged after 4 iterations. iteration 955: trace = 2.393513637809922 (0.000123128% change) linmin: converged after 10 iterations. iteration 956: trace = 2.393510506757236 (0.000130814% change) linmin: converged after 5 iterations. iteration 957: trace = 2.393507640157566 (0.000119766% change) large trace change predicted (0.000313861%) linmin: converged after 11 iterations. iteration 958: trace = 2.393500127861745 (0.000313862% change) linmin: converged after 5 iterations. iteration 959: trace = 2.393494788156733 (0.000223092% change) linmin: converged after 5 iterations. iteration 960: trace = 2.39348434947494 (0.000436128% change) linmin: converged after 6 iterations. iteration 961: trace = 2.393473336170258 (0.000460138% change) linmin: converged after 5 iterations. iteration 962: trace = 2.393466176867826 (0.000299118% change) linmin: converged after 4 iterations. iteration 963: trace = 2.393452298072569 (0.000579863% change) linmin: converged after 3 iterations. iteration 964: trace = 2.393448656865348 (0.000152132% change) large trace change predicted (0.000374091%) linmin: converged after 3 iterations. iteration 965: trace = 2.393439701805333 (0.00037415% change) linmin: converged after 6 iterations. iteration 966: trace = 2.393436458255365 (0.000135518% change) large trace change predicted (0.000316792%) linmin: converged after 4 iterations. iteration 967: trace = 2.393428876045128 (0.000316792% change) linmin: converged after 5 iterations. iteration 968: trace = 2.393426380859422 (0.000104252% change) large trace change predicted (0.000244802%) linmin: converged after 5 iterations. iteration 969: trace = 2.393420520538728 (0.000244851% change) linmin: converged after 5 iterations. iteration 970: trace = 2.393418851824411 (6.97209e-05% change) large trace change predicted (0.00019134%) linmin: converged after 3 iterations. iteration 971: trace = 2.393414271876066 (0.000191356% change) linmin: converged after 7 iterations. iteration 972: trace = 2.393413075477578 (4.99871e-05% change) large trace change predicted (0.00015086%) linmin: converged after 4 iterations. iteration 973: trace = 2.393409464217927 (0.000150883% change) linmin: converged after 6 iterations. iteration 974: trace = 2.393408134152997 (5.5572e-05% change) large trace change predicted (0.000120053%) linmin: converged after 5 iterations. iteration 975: trace = 2.393405260855118 (0.000120051% change) linmin: converged after 9 iterations. iteration 976: trace = 2.393404383141242 (3.66722e-05% change) linmin: converged after 5 iterations. iteration 977: trace = 2.393402666045481 (7.17428e-05% change) linmin: converged after 5 iterations. iteration 978: trace = 2.393401975714696 (2.88431e-05% change) large trace change predicted (0.000103563%) linmin: converged after 4 iterations. iteration 979: trace = 2.393399497148036 (0.000103558% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.393398857745352 (2.67153e-05% change) linmin: converged after 3 iterations. iteration 981: trace = 2.39339801257345 (3.53126e-05% change) linmin: converged after 4 iterations. iteration 982: trace = 2.393396777174976 (5.16169e-05% change) linmin: converged after 13 iterations. iteration 983: trace = 2.393396046469055 (3.05301e-05% change) large trace change predicted (0.000135784%) linmin: converged after 7 iterations. iteration 984: trace = 2.393392796856243 (0.000135774% change) linmin: converged after 4 iterations. iteration 985: trace = 2.3933909388881 (7.76291e-05% change) linmin: converged after 8 iterations. iteration 986: trace = 2.393388231354699 (0.000113125% change) linmin: converged after 6 iterations. iteration 987: trace = 2.393385084528441 (0.00013148% change) linmin: converged after 7 iterations. iteration 988: trace = 2.393383375292374 (7.1415e-05% change) large trace change predicted (0.000162227%) linmin: converged after 6 iterations. iteration 989: trace = 2.39337949267091 (0.000162223% change) linmin: converged after 6 iterations. iteration 990: trace = 2.393377370493137 (8.86687e-05% change) large trace change predicted (0.0002045%) linmin: converged after 4 iterations. iteration 991: trace = 2.393372476433091 (0.000204484% change) linmin: converged after 5 iterations. iteration 992: trace = 2.393366010571389 (0.000270157% change) linmin: converged after 7 iterations. iteration 993: trace = 2.393360582141217 (0.000226812% change) linmin: converged after 5 iterations. iteration 994: trace = 2.393353007150244 (0.000316501% change) linmin: converged after 4 iterations. iteration 995: trace = 2.393350017475156 (0.000124916% change) large trace change predicted (0.00026056%) linmin: converged after 5 iterations. iteration 996: trace = 2.39334378203401 (0.000260532% change) linmin: converged after 6 iterations. iteration 997: trace = 2.393335774007732 (0.000334596% change) linmin: converged after 6 iterations. iteration 998: trace = 2.393331601744257 (0.000174329% change) large trace change predicted (0.000372919%) linmin: converged after 13 iterations. iteration 999: trace = 2.393322677307343 (0.000372888% change) linmin: converged after 13 iterations. iteration 1000: trace = 2.393321272804266 (5.86843e-05% change) linmin: converged after 8 iterations. iteration 1001: trace = 2.393318598405276 (0.000111744% change) linmin: converged after 5 iterations. iteration 1002: trace = 2.393316904843696 (7.07621e-05% change) linmin: converged after 5 iterations. iteration 1003: trace = 2.393316064873754 (3.50965e-05% change) large trace change predicted (9.3938e-05%) linmin: converged after 4 iterations. iteration 1004: trace = 2.393313816626083 (9.39386e-05% change) linmin: converged after 11 iterations. iteration 1005: trace = 2.393312997241325 (3.42364e-05% change) large trace change predicted (0.000149882%) linmin: converged after 6 iterations. iteration 1006: trace = 2.39330941048938 (0.000149866% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.393306895060383 (0.000105103% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.393304600723536 (9.58648e-05% change) large trace change predicted (0.000192641%) linmin: converged after 5 iterations. iteration 1009: trace = 2.393299991031353 (0.000192608% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.393296409280905 (0.000149658% change) linmin: converged after 9 iterations. iteration 1011: trace = 2.393290678965539 (0.000239432% change) linmin: converged after 5 iterations. iteration 1012: trace = 2.393286681689123 (0.00016702% change) linmin: converged after 6 iterations. iteration 1013: trace = 2.393284644429595 (8.5124e-05% change) large trace change predicted (0.000189203%) linmin: converged after 6 iterations. iteration 1014: trace = 2.39328011637136 (0.000189199% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.393278287913598 (7.63997e-05% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.393276001261386 (9.55448e-05% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.393272876472464 (0.000130565% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.393272160052428 (2.99347e-05% change) large trace change predicted (9.79606e-05%) linmin: converged after 3 iterations. iteration 1019: trace = 2.393269815718094 (9.79552e-05% change) linmin: converged after 7 iterations. iteration 1020: trace = 2.393269067031305 (3.1283e-05% change) linmin: converged after 7 iterations. iteration 1021: trace = 2.393268543077747 (2.18928e-05% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.393267828019735 (2.98779e-05% change) linmin: converged after 5 iterations. iteration 1023: trace = 2.393267385051577 (1.85089e-05% change) linmin: converged after 4 iterations. iteration 1024: trace = 2.393266529555258 (3.5746e-05% change) linmin: converged after 3 iterations. iteration 1025: trace = 2.39326525341969 (5.33219e-05% change) linmin: converged after 15 iterations. iteration 1026: trace = 2.39326441430694 (3.50614e-05% change) large trace change predicted (0.000101647%) linmin: converged after 5 iterations. iteration 1027: trace = 2.393261981570269 (0.000101649% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.393260515336318 (6.12651e-05% change) linmin: converged after 7 iterations. iteration 1029: trace = 2.393257998417836 (0.000105167% change) large trace change predicted (0.000247538%) linmin: converged after 8 iterations. iteration 1030: trace = 2.393252074643331 (0.00024752% change) linmin: converged after 8 iterations. iteration 1031: trace = 2.393250024021437 (8.56835e-05% change) large trace change predicted (0.000206121%) linmin: converged after 4 iterations. iteration 1032: trace = 2.393245091918589 (0.000206084% change) linmin: converged after 6 iterations. iteration 1033: trace = 2.393243958621495 (4.7354e-05% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.393241934798795 (8.4564e-05% change) linmin: converged after 9 iterations. iteration 1035: trace = 2.393240537244809 (5.83959e-05% change) linmin: converged after 9 iterations. iteration 1036: trace = 2.39324002778815 (2.12873e-05% change) large trace change predicted (5.57942e-05%) linmin: converged after 9 iterations. iteration 1037: trace = 2.393238692509214 (5.57938e-05% change) linmin: converged after 6 iterations. iteration 1038: trace = 2.39323802059479 (2.80755e-05% change) large trace change predicted (6.07335e-05%) linmin: converged after 8 iterations. iteration 1039: trace = 2.393236567069471 (6.07347e-05% change) linmin: converged after 5 iterations. iteration 1040: trace = 2.393235119480474 (6.04867e-05% change) linmin: converged after 4 iterations. iteration 1041: trace = 2.393233817398129 (5.44068e-05% change) linmin: converged after 4 iterations. iteration 1042: trace = 2.393232071761479 (7.29405e-05% change) linmin: converged after 5 iterations. iteration 1043: trace = 2.39323128945811 (3.26882e-05% change) large trace change predicted (8.55472e-05%) linmin: converged after 4 iterations. iteration 1044: trace = 2.393229242214166 (8.55431e-05% change) linmin: converged after 6 iterations. iteration 1045: trace = 2.393227651783551 (6.64554e-05% change) linmin: converged after 7 iterations. iteration 1046: trace = 2.393225663833507 (8.30657e-05% change) linmin: converged after 6 iterations. iteration 1047: trace = 2.393222802787842 (0.000119548% change) linmin: converged after 8 iterations. iteration 1048: trace = 2.393220864444548 (8.0993e-05% change) large trace change predicted (0.000271507%) linmin: converged after 4 iterations. iteration 1049: trace = 2.393214366687728 (0.000271507% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.393210290441174 (0.000170325% change) linmin: converged after 5 iterations. iteration 1051: trace = 2.393207576173126 (0.000113415% change) linmin: converged after 4 iterations. iteration 1052: trace = 2.393204382090806 (0.000133465% change) linmin: converged after 6 iterations. iteration 1053: trace = 2.393203141646405 (5.1832e-05% change) linmin: converged after 4 iterations. iteration 1054: trace = 2.393201585559278 (6.50211e-05% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.393199555406358 (8.483e-05% change) linmin: converged after 7 iterations. iteration 1056: trace = 2.393199048834635 (2.11671e-05% change) large trace change predicted (6.37928e-05%) linmin: converged after 4 iterations. iteration 1057: trace = 2.393197522092076 (6.37951e-05% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.393196541303609 (4.09824e-05% change) linmin: converged after 12 iterations. iteration 1059: trace = 2.393195711374781 (3.46787e-05% change) linmin: converged after 7 iterations. iteration 1060: trace = 2.39319453789427 (4.90341e-05% change) linmin: converged after 5 iterations. iteration 1061: trace = 2.393194082956864 (1.90096e-05% change) large trace change predicted (4.26953e-05%) linmin: converged after 5 iterations. iteration 1062: trace = 2.393193061154764 (4.26962e-05% change) linmin: converged after 13 iterations. iteration 1063: trace = 2.393192067371938 (4.15254e-05% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.393191428683271 (2.66877e-05% change) large trace change predicted (7.5277e-05%) linmin: converged after 5 iterations. iteration 1065: trace = 2.393189627003934 (7.52836e-05% change) linmin: converged after 5 iterations. iteration 1066: trace = 2.393188640493396 (4.12216e-05% change) linmin: converged after 8 iterations. iteration 1067: trace = 2.393186825198472 (7.58526e-05% change) large trace change predicted (0.000155663%) linmin: converged after 7 iterations. iteration 1068: trace = 2.393183100095089 (0.000155655% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.393181932013928 (4.88087e-05% change) large trace change predicted (0.000120468%) linmin: converged after 12 iterations. iteration 1070: trace = 2.393179049354931 (0.000120453% change) linmin: converged after 4 iterations. iteration 1071: trace = 2.39317841544213 (2.64883e-05% change) large trace change predicted (6.14963e-05%) linmin: converged after 3 iterations. iteration 1072: trace = 2.393176943830439 (6.1492e-05% change) linmin: converged after 5 iterations. iteration 1073: trace = 2.393176128200228 (3.40815e-05% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.393175836730765 (1.21792e-05% change) large trace change predicted (3.12721e-05%) linmin: converged after 8 iterations. iteration 1075: trace = 2.393175088311975 (3.1273e-05% change) linmin: converged after 6 iterations. iteration 1076: trace = 2.393174836913051 (1.05048e-05% change) linmin: converged after 5 iterations. iteration 1077: trace = 2.393174499953542 (1.408e-05% change) linmin: converged after 8 iterations. iteration 1078: trace = 2.393173917660776 (2.43314e-05% change) linmin: converged after 12 iterations. iteration 1079: trace = 2.393173583806723 (1.39503e-05% change) large trace change predicted (3.56268e-05%) linmin: converged after 6 iterations. iteration 1080: trace = 2.393172731134282 (3.56294e-05% change) large trace change predicted (7.21561e-05%) linmin: converged after 4 iterations. iteration 1081: trace = 2.393171004310397 (7.21563e-05% change) linmin: converged after 5 iterations. iteration 1082: trace = 2.393170288825717 (2.98969e-05% change) large trace change predicted (9.661e-05%) linmin: converged after 4 iterations. iteration 1083: trace = 2.393167976850339 (9.66073e-05% change) linmin: converged after 12 iterations. iteration 1084: trace = 2.393166861195967 (4.66183e-05% change) linmin: converged after 4 iterations. iteration 1085: trace = 2.393164724567955 (8.92804e-05% change) linmin: converged after 4 iterations. iteration 1086: trace = 2.393162654720227 (8.649e-05% change) linmin: converged after 5 iterations. iteration 1087: trace = 2.393161542554514 (4.64726e-05% change) large trace change predicted (9.32381e-05%) linmin: converged after 6 iterations. iteration 1088: trace = 2.393159311105262 (9.32428e-05% change) linmin: converged after 5 iterations. iteration 1089: trace = 2.39315628345993 (0.000126513% change) linmin: converged after 4 iterations. iteration 1090: trace = 2.393155423667713 (3.59271e-05% change) large trace change predicted (8.793e-05%) linmin: converged after 5 iterations. iteration 1091: trace = 2.393153319160044 (8.79387e-05% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.393152590988818 (3.04273e-05% change) linmin: converged after 5 iterations. iteration 1093: trace = 2.393151958891362 (2.64128e-05% change) linmin: converged after 5 iterations. iteration 1094: trace = 2.393151108429939 (3.55373e-05% change) linmin: converged after 5 iterations. iteration 1095: trace = 2.393150857445542 (1.04876e-05% change) large trace change predicted (4.02579e-05%) linmin: converged after 7 iterations. iteration 1096: trace = 2.393149894031267 (4.02572e-05% change) linmin: converged after 6 iterations. iteration 1097: trace = 2.393149149982629 (3.10908e-05% change) linmin: converged after 15 iterations. iteration 1098: trace = 2.393148195430912 (3.98869e-05% change) large trace change predicted (0.000119726%) linmin: converged after 6 iterations. iteration 1099: trace = 2.393145330313613 (0.000119722% change) linmin: converged after 6 iterations. iteration 1100: trace = 2.393144180958879 (4.8027e-05% change) large trace change predicted (0.000107822%) linmin: converged after 6 iterations. iteration 1101: trace = 2.393141600546532 (0.000107825% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.393138867497359 (0.000114203% change) linmin: converged after 5 iterations. iteration 1103: trace = 2.393137437991372 (5.97335e-05% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.393134889901042 (0.000106475% change) linmin: converged after 8 iterations. iteration 1105: trace = 2.393134056875987 (3.4809e-05% change) large trace change predicted (0.000114227%) linmin: converged after 6 iterations. iteration 1106: trace = 2.393131323002051 (0.000114238% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.393130471419162 (3.55845e-05% change) linmin: converged after 4 iterations. iteration 1108: trace = 2.393129703889396 (3.20722e-05% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.393128458007009 (5.20608e-05% change) linmin: converged after 6 iterations. iteration 1110: trace = 2.393128111015753 (1.44995e-05% change) large trace change predicted (4.7851e-05%) linmin: converged after 7 iterations. iteration 1111: trace = 2.39312696584973 (4.78523e-05% change) linmin: converged after 8 iterations. iteration 1112: trace = 2.3931266391468 (1.36517e-05% change) large trace change predicted (3.78281e-05%) linmin: converged after 5 iterations. iteration 1113: trace = 2.393125733843513 (3.78293e-05% change) linmin: converged after 5 iterations. iteration 1114: trace = 2.393125357326621 (1.57333e-05% change) linmin: converged after 4 iterations. iteration 1115: trace = 2.39312510143522 (1.06928e-05% change) linmin: converged after 7 iterations. iteration 1116: trace = 2.393124646352413 (1.90163e-05% change) linmin: converged after 8 iterations. iteration 1117: trace = 2.393124566839406 (3.32256e-06% change) large trace change predicted (2.60653e-05%) linmin: converged after 4 iterations. iteration 1118: trace = 2.393123943067639 (2.60652e-05% change) linmin: converged after 5 iterations. iteration 1119: trace = 2.393123292302728 (2.71931e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.393122795144083 (2.07745e-05% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.393122221499031 (2.39706e-05% change) linmin: converged after 9 iterations. iteration 1122: trace = 2.393122026857971 (8.13335e-06% change) linmin: converged after 9 iterations. iteration 1123: trace = 2.393121762135788 (1.10618e-05% change) linmin: converged after 5 iterations. iteration 1124: trace = 2.393121315690836 (1.86553e-05% change) linmin: converged after 12 iterations. iteration 1125: trace = 2.393121043248063 (1.13844e-05% change) large trace change predicted (2.35221e-05%) linmin: converged after 4 iterations. iteration 1126: trace = 2.393120480355973 (2.35213e-05% change) linmin: converged after 10 iterations. iteration 1127: trace = 2.393119750018178 (3.05182e-05% change) linmin: converged after 5 iterations. iteration 1128: trace = 2.393119411592762 (1.41416e-05% change) large trace change predicted (4.9348e-05%) linmin: converged after 8 iterations. iteration 1129: trace = 2.393118230639719 (4.93479e-05% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.393117875081792 (1.48575e-05% change) large trace change predicted (4.74419e-05%) linmin: converged after 3 iterations. iteration 1131: trace = 2.393116739756548 (4.74413e-05% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.393115488628403 (5.22803e-05% change) linmin: converged after 12 iterations. iteration 1133: trace = 2.393114965220025 (2.18714e-05% change) large trace change predicted (8.47535e-05%) linmin: converged after 7 iterations. iteration 1134: trace = 2.393112937186994 (8.47445e-05% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.39311180181349 (4.74434e-05% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.393110339065101 (6.11233e-05% change) linmin: converged after 9 iterations. iteration 1137: trace = 2.393108472239607 (7.80084e-05% change) linmin: converged after 5 iterations. iteration 1138: trace = 2.393107594039128 (3.66971e-05% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.393106173298511 (5.9368e-05% change) linmin: converged after 3 iterations. iteration 1140: trace = 2.393105006931219 (4.87386e-05% change) linmin: converged after 8 iterations. iteration 1141: trace = 2.393104440007796 (2.36899e-05% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.393103689050256 (3.13801e-05% change) linmin: converged after 5 iterations. iteration 1143: trace = 2.393103499564331 (7.918e-06% change) large trace change predicted (1.88069e-05%) linmin: converged after 4 iterations. iteration 1144: trace = 2.393103049500558 (1.88067e-05% change) linmin: converged after 5 iterations. iteration 1145: trace = 2.393102732345627 (1.32529e-05% change) linmin: converged after 5 iterations. iteration 1146: trace = 2.393102478486765 (1.06079e-05% change) large trace change predicted (2.48009e-05%) linmin: converged after 4 iterations. iteration 1147: trace = 2.393101884993238 (2.48002e-05% change) linmin: converged after 4 iterations. iteration 1148: trace = 2.393101518122005 (1.53304e-05% change) large trace change predicted (5.74864e-05%) linmin: converged after 18 iterations. iteration 1149: trace = 2.393100142463501 (5.74844e-05% change) linmin: converged after 5 iterations. iteration 1150: trace = 2.393098797410638 (5.62055e-05% change) linmin: converged after 7 iterations. iteration 1151: trace = 2.393098152780351 (2.69371e-05% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.393097005977972 (4.79213e-05% change) linmin: converged after 3 iterations. iteration 1153: trace = 2.393095935653633 (4.47255e-05% change) linmin: converged after 5 iterations. iteration 1154: trace = 2.393095541297538 (1.64789e-05% change) large trace change predicted (5.49254e-05%) linmin: converged after 18 iterations. iteration 1155: trace = 2.393094226921638 (5.49237e-05% change) linmin: converged after 3 iterations. iteration 1156: trace = 2.39309396426576 (1.09756e-05% change) large trace change predicted (3.10945e-05%) linmin: converged after 10 iterations. iteration 1157: trace = 2.393093220141118 (3.10947e-05% change) linmin: converged after 10 iterations. iteration 1158: trace = 2.39309264554897 (2.40104e-05% change) linmin: converged after 20 iterations. iteration 1159: trace = 2.393092448080255 (8.25161e-06% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.393092059924631 (1.62198e-05% change) linmin: converged after 4 iterations. iteration 1161: trace = 2.393091858329862 (8.42403e-06% change) linmin: converged after 5 iterations. iteration 1162: trace = 2.393091720097054 (5.77633e-06% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.393091541114908 (7.47912e-06% change) linmin: converged after 4 iterations. iteration 1164: trace = 2.393091447694025 (3.90377e-06% change) large trace change predicted (8.30835e-06%) linmin: converged after 15 iterations. iteration 1165: trace = 2.393091248865591 (8.30843e-06% change) linmin: converged after 10 iterations. iteration 1166: trace = 2.393090859375185 (1.62756e-05% change) linmin: converged after 7 iterations. iteration 1167: trace = 2.393090694880812 (6.87372e-06% change) large trace change predicted (3.23481e-05%) linmin: converged after 15 iterations. iteration 1168: trace = 2.393089920781617 (3.23473e-05% change) linmin: converged after 17 iterations. iteration 1169: trace = 2.393088972181016 (3.96392e-05% change) linmin: converged after 4 iterations. iteration 1170: trace = 2.393088551654936 (1.75725e-05% change) large trace change predicted (3.88729e-05%) linmin: converged after 4 iterations. iteration 1171: trace = 2.393087621447286 (3.88706e-05% change) linmin: converged after 4 iterations. iteration 1172: trace = 2.393087098770607 (2.18411e-05% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.393086513505814 (2.44565e-05% change) linmin: converged after 6 iterations. iteration 1174: trace = 2.393085756884826 (3.1617e-05% change) linmin: converged after 19 iterations. iteration 1175: trace = 2.393085656497844 (4.19488e-06% change) large trace change predicted (1.52876e-05%) linmin: converged after 5 iterations. iteration 1176: trace = 2.39308529065863 (1.52873e-05% change) linmin: converged after 8 iterations. iteration 1177: trace = 2.393085151679289 (5.80754e-06% change) linmin: converged after 5 iterations. iteration 1178: trace = 2.393084939720825 (8.85712e-06% change) linmin: converged after 5 iterations. iteration 1179: trace = 2.393084551457581 (1.62244e-05% change) linmin: converged after 3 iterations. iteration 1180: trace = 2.39308438782028 (6.83792e-06% change) large trace change predicted (1.95492e-05%) linmin: converged after 6 iterations. iteration 1181: trace = 2.393083920006672 (1.95486e-05% change) linmin: converged after 16 iterations. iteration 1182: trace = 2.3930835389766 (1.59221e-05% change) linmin: converged after 6 iterations. iteration 1183: trace = 2.393083287334296 (1.05154e-05% change) linmin: converged after 5 iterations. iteration 1184: trace = 2.393082885619513 (1.67865e-05% change) linmin: converged after 7 iterations. iteration 1185: trace = 2.393082543878946 (1.42803e-05% change) linmin: converged after 4 iterations. iteration 1186: trace = 2.39308201855262 (2.19519e-05% change) linmin: converged after 5 iterations. iteration 1187: trace = 2.393081060456546 (4.00361e-05% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.393080464286011 (2.49123e-05% change) large trace change predicted (0.000132277%) linmin: converged after 4 iterations. iteration 1189: trace = 2.393077298895951 (0.000132273% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.393076240239254 (4.42383e-05% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.393074750140043 (6.22671e-05% change) linmin: converged after 8 iterations. iteration 1192: trace = 2.393073809711386 (3.92979e-05% change) linmin: converged after 18 iterations. iteration 1193: trace = 2.39307351609799 (1.22693e-05% change) linmin: converged after 4 iterations. iteration 1194: trace = 2.393072929586735 (2.45087e-05% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.393072566130759 (1.51878e-05% change) linmin: converged after 6 iterations. iteration 1196: trace = 2.393072357762494 (8.70714e-06% change) linmin: converged after 5 iterations. iteration 1197: trace = 2.393072037362187 (1.33887e-05% change) linmin: converged after 6 iterations. iteration 1198: trace = 2.393071930524768 (4.46445e-06% change) large trace change predicted (9.56957e-06%) linmin: converged after 4 iterations. iteration 1199: trace = 2.393071701518167 (9.56957e-06% change) linmin: converged after 5 iterations. iteration 1200: trace = 2.39307140753333 (1.22848e-05% change) linmin: converged after 16 iterations. iteration 1201: trace = 2.393071323863251 (3.49635e-06% change) large trace change predicted (1.10284e-05%) linmin: converged after 5 iterations. iteration 1202: trace = 2.393071059940076 (1.10286e-05% change) linmin: converged after 6 iterations. iteration 1203: trace = 2.393070926133761 (5.59141e-06% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.393070793781081 (5.53066e-06% change) large trace change predicted (1.58304e-05%) linmin: converged after 4 iterations. iteration 1205: trace = 2.393070414942804 (1.58306e-05% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.393070263111629 (6.34462e-06% change) linmin: converged after 19 iterations. iteration 1207: trace = 2.393069975221526 (1.20302e-05% change) large trace change predicted (2.95267e-05%) linmin: converged after 7 iterations. iteration 1208: trace = 2.393069268622976 (2.95269e-05% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.393069118002479 (6.29403e-06% change) large trace change predicted (2.71235e-05%) linmin: converged after 17 iterations. iteration 1210: trace = 2.393068468921886 (2.71234e-05% change) linmin: converged after 5 iterations. iteration 1211: trace = 2.393068209934187 (1.08224e-05% change) linmin: converged after 6 iterations. iteration 1212: trace = 2.393067826420286 (1.6026e-05% change) linmin: converged after 5 iterations. iteration 1213: trace = 2.39306755074399 (1.15198e-05% change) linmin: converged after 5 iterations. iteration 1214: trace = 2.393067481258047 (2.90363e-06% change) large trace change predicted (6.62382e-06%) linmin: converged after 7 iterations. iteration 1215: trace = 2.393067322743694 (6.6239e-06% change) linmin: converged after 9 iterations. iteration 1216: trace = 2.393067247866624 (3.12892e-06% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.393067201984167 (1.91731e-06% change) large trace change predicted (5.75137e-06%) linmin: converged after 5 iterations. iteration 1218: trace = 2.393067064347898 (5.75146e-06% change) linmin: converged after 4 iterations. iteration 1219: trace = 2.393067013798175 (2.11234e-06% change) large trace change predicted (6.27588e-06%) linmin: converged after 4 iterations. iteration 1220: trace = 2.393066863611985 (6.27589e-06% change) linmin: converged after 5 iterations. iteration 1221: trace = 2.393066564182733 (1.25124e-05% change) linmin: converged after 5 iterations. iteration 1222: trace = 2.39306644592344 (4.94175e-06% change) large trace change predicted (1.84633e-05%) linmin: converged after 6 iterations. iteration 1223: trace = 2.393066004079361 (1.84635e-05% change) linmin: converged after 5 iterations. iteration 1224: trace = 2.393065760666671 (1.01716e-05% change) large trace change predicted (2.08722e-05%) linmin: converged after 6 iterations. iteration 1225: trace = 2.393065261168879 (2.08727e-05% change) linmin: converged after 4 iterations. iteration 1226: trace = 2.393064858116487 (1.68425e-05% change) linmin: converged after 4 iterations. iteration 1227: trace = 2.393064647187562 (8.81418e-06% change) large trace change predicted (2.02102e-05%) linmin: converged after 12 iterations. iteration 1228: trace = 2.39306416354039 (2.02104e-05% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.393063626688344 (2.24337e-05% change) linmin: converged after 5 iterations. iteration 1230: trace = 2.393063278698965 (1.45416e-05% change) linmin: converged after 5 iterations. iteration 1231: trace = 2.393062704453462 (2.39963e-05% change) linmin: converged after 4 iterations. iteration 1232: trace = 2.39306257817967 (5.27666e-06% change) linmin: converged after 5 iterations. iteration 1233: trace = 2.393062375079716 (8.48703e-06% change) linmin: converged after 5 iterations. iteration 1234: trace = 2.393062226591907 (6.20493e-06% change) linmin: converged after 13 iterations. iteration 1235: trace = 2.393062150715249 (3.17069e-06% change) large trace change predicted (7.1653e-06%) linmin: converged after 4 iterations. iteration 1236: trace = 2.393061979244249 (7.16534e-06% change) linmin: converged after 10 iterations. iteration 1237: trace = 2.393061908567113 (2.95342e-06% change) large trace change predicted (1.09655e-05%) linmin: converged after 13 iterations. iteration 1238: trace = 2.393061646153985 (1.09656e-05% change) linmin: converged after 5 iterations. iteration 1239: trace = 2.393061357126682 (1.20777e-05% change) linmin: converged after 5 iterations. iteration 1240: trace = 2.39306106810203 (1.20776e-05% change) linmin: converged after 5 iterations. iteration 1241: trace = 2.393060602970678 (1.94367e-05% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.3930602614582 (1.4271e-05% change) linmin: converged after 6 iterations. iteration 1243: trace = 2.393059776248598 (2.02757e-05% change) linmin: converged after 5 iterations. iteration 1244: trace = 2.393059160145531 (2.57454e-05% change) linmin: converged after 7 iterations. iteration 1245: trace = 2.393058912697326 (1.03402e-05% change) large trace change predicted (2.06885e-05%) linmin: converged after 9 iterations. iteration 1246: trace = 2.39305841758815 (2.06894e-05% change) linmin: converged after 5 iterations. iteration 1247: trace = 2.393058288110684 (5.41054e-06% change) large trace change predicted (1.13421e-05%) linmin: converged after 2 iterations. iteration 1248: trace = 2.393058016687091 (1.13421e-05% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.393057784387755 (9.70722e-06% change) linmin: converged after 4 iterations. iteration 1250: trace = 2.393057694039186 (3.77544e-06% change) large trace change predicted (1.12147e-05%) linmin: converged after 4 iterations. iteration 1251: trace = 2.393057425664721 (1.12147e-05% change) linmin: converged after 6 iterations. iteration 1252: trace = 2.393057344262602 (3.40159e-06% change) large trace change predicted (7.092e-06%) linmin: converged after 4 iterations. iteration 1253: trace = 2.393057174544058 (7.09212e-06% change) linmin: converged after 20 iterations. iteration 1254: trace = 2.39305706377123 (4.62893e-06% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.393057004024575 (2.49667e-06% change) linmin: converged after 4 iterations. iteration 1256: trace = 2.39305691958685 (3.52845e-06% change) linmin: converged after 7 iterations. iteration 1257: trace = 2.393056878822534 (1.70344e-06% change) linmin: converged after 5 iterations. iteration 1258: trace = 2.39305681617839 (2.61775e-06% change) large trace change predicted (5.79016e-06%) linmin: converged after 15 iterations. iteration 1259: trace = 2.393056677618627 (5.79007e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.393056615081571 (2.61327e-06% change) linmin: converged after 4 iterations. iteration 1261: trace = 2.393056537874384 (3.2263e-06% change) linmin: converged after 5 iterations. iteration 1262: trace = 2.393056476760083 (2.55382e-06% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.393056445828446 (1.29256e-06% change) large trace change predicted (3.23548e-06%) linmin: converged after 4 iterations. iteration 1264: trace = 2.393056368401015 (3.2355e-06% change) linmin: converged after 7 iterations. iteration 1265: trace = 2.393056228587454 (5.84247e-06% change) linmin: converged after 4 iterations. iteration 1266: trace = 2.393056180500727 (2.00943e-06% change) large trace change predicted (7.96015e-06%) linmin: converged after 5 iterations. iteration 1267: trace = 2.393055990013713 (7.95999e-06% change) linmin: converged after 4 iterations. iteration 1268: trace = 2.393055894830834 (3.97746e-06% change) linmin: converged after 14 iterations. iteration 1269: trace = 2.393055738068435 (6.55072e-06% change) linmin: converged after 12 iterations. iteration 1270: trace = 2.393055559474342 (7.46301e-06% change) linmin: converged after 5 iterations. iteration 1271: trace = 2.393055446448873 (4.72306e-06% change) large trace change predicted (1.0583e-05%) linmin: converged after 4 iterations. iteration 1272: trace = 2.393055193199412 (1.05827e-05% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.393054815707878 (1.57745e-05% change) linmin: converged after 11 iterations. iteration 1274: trace = 2.393054697166692 (4.95355e-06% change) large trace change predicted (1.88963e-05%) linmin: converged after 6 iterations. iteration 1275: trace = 2.393054244993206 (1.88952e-05% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.393053985666967 (1.08366e-05% change) linmin: converged after 4 iterations. iteration 1277: trace = 2.393053817100578 (7.04399e-06% change) large trace change predicted (1.72193e-05%) linmin: converged after 5 iterations. iteration 1278: trace = 2.393053405038393 (1.72191e-05% change) linmin: converged after 7 iterations. iteration 1279: trace = 2.39305330651077 (4.11723e-06% change) large trace change predicted (1.10084e-05%) linmin: converged after 7 iterations. iteration 1280: trace = 2.39305304307857 (1.10082e-05% change) linmin: converged after 12 iterations. iteration 1281: trace = 2.393052973546367 (2.90559e-06% change) large trace change predicted (5.81259e-06%) linmin: converged after 7 iterations. iteration 1282: trace = 2.393052834449853 (5.81251e-06% change) linmin: converged after 4 iterations. iteration 1283: trace = 2.393052788630628 (1.91468e-06% change) linmin: converged after 12 iterations. iteration 1284: trace = 2.393052698068568 (3.78437e-06% change) linmin: converged after 7 iterations. iteration 1285: trace = 2.393052666944639 (1.3006e-06% change) large trace change predicted (3.6287e-06%) linmin: converged after 4 iterations. iteration 1286: trace = 2.393052580108233 (3.62869e-06% change) linmin: converged after 5 iterations. iteration 1287: trace = 2.393052534726269 (1.8964e-06% change) large trace change predicted (5.44108e-06%) linmin: converged after 13 iterations. iteration 1288: trace = 2.393052404519425 (5.44104e-06% change) linmin: converged after 5 iterations. iteration 1289: trace = 2.393052313475159 (3.80452e-06% change) large trace change predicted (1.11147e-05%) linmin: converged after 3 iterations. iteration 1290: trace = 2.393052047496551 (1.11146e-05% change) linmin: converged after 3 iterations. iteration 1291: trace = 2.393051891885403 (6.50262e-06% change) linmin: converged after 4 iterations. iteration 1292: trace = 2.393051718982003 (7.22523e-06% change) linmin: converged after 7 iterations. iteration 1293: trace = 2.39305143063593 (1.20493e-05% change) linmin: converged after 4 iterations. iteration 1294: trace = 2.393051301111332 (5.41253e-06% change) linmin: converged after 10 iterations. iteration 1295: trace = 2.393051073815899 (9.49814e-06% change) linmin: converged after 8 iterations. iteration 1296: trace = 2.393050980766919 (3.8883e-06% change) large trace change predicted (8.42128e-06%) linmin: converged after 5 iterations. iteration 1297: trace = 2.393050779248155 (8.421e-06% change) linmin: converged after 20 iterations. iteration 1298: trace = 2.393050700075646 (3.30843e-06% change) linmin: converged after 4 iterations. iteration 1299: trace = 2.393050577158003 (5.13644e-06% change) linmin: converged after 5 iterations. iteration 1300: trace = 2.393050512685025 (2.69418e-06% change) large trace change predicted (5.60134e-06%) linmin: converged after 10 iterations. iteration 1301: trace = 2.393050378643705 (5.60127e-06% change) linmin: converged after 16 iterations. iteration 1302: trace = 2.393050309818964 (2.87603e-06% change) linmin: converged after 22 iterations. iteration 1303: trace = 2.393050263643945 (1.92955e-06% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.393050220657166 (1.79632e-06% change) linmin: converged after 10 iterations. iteration 1305: trace = 2.393050203526576 (7.15847e-07% change) linmin: converged after 4 iterations. iteration 1306: trace = 2.3930501758973 (1.15456e-06% change) linmin: converged after 4 iterations. iteration 1307: trace = 2.393050131205801 (1.86755e-06% change) linmin: converged after 5 iterations. iteration 1308: trace = 2.393050089127964 (1.75833e-06% change) large trace change predicted (4.20362e-06%) linmin: converged after 6 iterations. iteration 1309: trace = 2.393049988533434 (4.20361e-06% change) linmin: converged after 4 iterations. iteration 1310: trace = 2.393049937494488 (2.1328e-06% change) large trace change predicted (8.69199e-06%) linmin: converged after 9 iterations. iteration 1311: trace = 2.393049729492954 (8.6919e-06% change) linmin: converged after 4 iterations. iteration 1312: trace = 2.393049607969515 (5.07818e-06% change) linmin: converged after 4 iterations. iteration 1313: trace = 2.393049501404847 (4.45309e-06% change) linmin: converged after 4 iterations. iteration 1314: trace = 2.393049323187542 (7.44729e-06% change) linmin: converged after 4 iterations. iteration 1315: trace = 2.39304926248731 (2.53652e-06% change) large trace change predicted (7.06838e-06%) linmin: converged after 4 iterations. iteration 1316: trace = 2.393049093338875 (7.06832e-06% change) linmin: converged after 4 iterations. iteration 1317: trace = 2.393049058766344 (1.44471e-06% change) large trace change predicted (4.27578e-06%) linmin: converged after 4 iterations. iteration 1318: trace = 2.393048956446813 (4.2757e-06% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.393048927188473 (1.22264e-06% change) linmin: converged after 10 iterations. iteration 1320: trace = 2.393048899655163 (1.15055e-06% change) large trace change predicted (2.34947e-06%) linmin: converged after 4 iterations. iteration 1321: trace = 2.393048843431763 (2.34945e-06% change) linmin: converged after 4 iterations. iteration 1322: trace = 2.393048816737902 (1.11547e-06% change) large trace change predicted (3.55362e-06%) linmin: converged after 5 iterations. iteration 1323: trace = 2.393048731698826 (3.55359e-06% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.393048703664522 (1.17149e-06% change) large trace change predicted (3.85066e-06%) linmin: converged after 7 iterations. iteration 1325: trace = 2.393048611517881 (3.8506e-06% change) linmin: converged after 4 iterations. iteration 1326: trace = 2.393048579464149 (1.33945e-06% change) large trace change predicted (3.0756e-06%) linmin: converged after 4 iterations. iteration 1327: trace = 2.393048505863385 (3.07561e-06% change) linmin: converged after 10 iterations. iteration 1328: trace = 2.393048443971334 (2.58633e-06% change) linmin: converged after 7 iterations. iteration 1329: trace = 2.393048381534923 (2.60907e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1330: trace = 2.393048328290756 (2.22495e-06% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.393048299015218 (1.22336e-06% change) large trace change predicted (2.55996e-06%) linmin: converged after 4 iterations. iteration 1332: trace = 2.393048237753289 (2.56e-06% change) linmin: converged after 7 iterations. iteration 1333: trace = 2.393048197191078 (1.695e-06% change) linmin: converged after 6 iterations. iteration 1334: trace = 2.393048129759274 (2.81782e-06% change) linmin: converged after 5 iterations. iteration 1335: trace = 2.393048041225096 (3.69964e-06% change) linmin: converged after 10 iterations. iteration 1336: trace = 2.393047995579124 (1.90744e-06% change) linmin: converged after 7 iterations. iteration 1337: trace = 2.393047932543754 (2.6341e-06% change) linmin: converged after 4 iterations. iteration 1338: trace = 2.393047913875658 (7.80097e-07% change) linmin: converged after 4 iterations. iteration 1339: trace = 2.393047876559465 (1.55936e-06% change) linmin: converged after 9 iterations. iteration 1340: trace = 2.393047856457463 (8.40017e-07% change) large trace change predicted (2.36425e-06%) linmin: converged after 4 iterations. iteration 1341: trace = 2.393047799879071 (2.36428e-06% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.393047772283724 (1.15315e-06% change) large trace change predicted (3.23171e-06%) linmin: converged after 7 iterations. iteration 1343: trace = 2.393047694946287 (3.23175e-06% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.393047596511027 (4.11338e-06% change) linmin: converged after 5 iterations. iteration 1345: trace = 2.393047474833821 (5.08461e-06% change) linmin: converged after 11 iterations. iteration 1346: trace = 2.393047338806019 (5.68429e-06% change) linmin: converged after 4 iterations. iteration 1347: trace = 2.393047257982458 (3.37743e-06% change) linmin: converged after 4 iterations. iteration 1348: trace = 2.393047135550511 (5.11615e-06% change) linmin: converged after 14 iterations. iteration 1349: trace = 2.393047097102274 (1.60666e-06% change) large trace change predicted (3.51195e-06%) linmin: converged after 4 iterations. iteration 1350: trace = 2.39304701305934 (3.51196e-06% change) linmin: converged after 4 iterations. iteration 1351: trace = 2.393046984576715 (1.19022e-06% change) linmin: converged after 6 iterations. iteration 1352: trace = 2.393046931180142 (2.23132e-06% change) linmin: converged after 5 iterations. iteration 1353: trace = 2.393046915962283 (6.3592e-07% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.393046897778245 (7.5987e-07% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.393046878039405 (8.24841e-07% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.393046866874994 (4.66535e-07% change) large trace change predicted (1.46683e-06%) linmin: converged after 4 iterations. iteration 1357: trace = 2.393046831773244 (1.46682e-06% change) linmin: converged after 4 iterations. iteration 1358: trace = 2.393046814533188 (7.20423e-07% change) large trace change predicted (3.20676e-06%) linmin: converged after 4 iterations. iteration 1359: trace = 2.393046737793498 (3.20678e-06% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.393046708205591 (1.23641e-06% change) large trace change predicted (4.33715e-06%) linmin: converged after 4 iterations. iteration 1361: trace = 2.39304660441495 (4.33718e-06% change) linmin: converged after 11 iterations. iteration 1362: trace = 2.393046566447987 (1.58655e-06% change) large trace change predicted (5.08932e-06%) linmin: converged after 5 iterations. iteration 1363: trace = 2.393046444655694 (5.08942e-06% change) linmin: converged after 5 iterations. iteration 1364: trace = 2.393046383381343 (2.56052e-06% change) linmin: converged after 18 iterations. iteration 1365: trace = 2.393046267203792 (4.8548e-06% change) linmin: converged after 4 iterations. iteration 1366: trace = 2.393046218720034 (2.02603e-06% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.393046139102549 (3.32704e-06% change) linmin: converged after 4 iterations. iteration 1368: trace = 2.393046039867581 (4.14681e-06% change) linmin: converged after 4 iterations. iteration 1369: trace = 2.393046002691606 (1.5535e-06% change) large trace change predicted (4.61047e-06%) linmin: converged after 7 iterations. iteration 1370: trace = 2.39304589235923 (4.61054e-06% change) linmin: converged after 8 iterations. iteration 1371: trace = 2.39304585265538 (1.65913e-06% change) large trace change predicted (3.91846e-06%) linmin: converged after 2 iterations. iteration 1372: trace = 2.393045758883969 (3.9185e-06% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.393045702494113 (2.35641e-06% change) linmin: converged after 6 iterations. iteration 1374: trace = 2.393045627622473 (3.12872e-06% change) linmin: converged after 4 iterations. iteration 1375: trace = 2.393045587604463 (1.67226e-06% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.393045559868877 (1.15901e-06% change) linmin: converged after 6 iterations. iteration 1377: trace = 2.393045517257147 (1.78065e-06% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.393045504406508 (5.36999e-07% change) large trace change predicted (1.65131e-06%) linmin: converged after 6 iterations. iteration 1379: trace = 2.393045464889901 (1.65131e-06% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.3930454486097 (6.80313e-07% change) large trace change predicted (2.07446e-06%) linmin: converged after 4 iterations. iteration 1381: trace = 2.393045398966872 (2.07446e-06% change) linmin: converged after 4 iterations. iteration 1382: trace = 2.393045369916776 (1.21394e-06% change) large trace change predicted (3.85259e-06%) linmin: converged after 4 iterations. iteration 1383: trace = 2.39304527772303 (3.85257e-06% change) linmin: converged after 7 iterations. iteration 1384: trace = 2.393045250595841 (1.13358e-06% change) large trace change predicted (5.11718e-06%) linmin: converged after 2 iterations. iteration 1385: trace = 2.393045128139787 (5.11716e-06% change) linmin: converged after 4 iterations. iteration 1386: trace = 2.393045070773681 (2.3972e-06% change) linmin: converged after 4 iterations. iteration 1387: trace = 2.393044972639807 (4.1008e-06% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.393044886836283 (3.58554e-06% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.393044837888691 (2.04541e-06% change) large trace change predicted (4.93033e-06%) linmin: converged after 20 iterations. iteration 1390: trace = 2.393044719900148 (4.93048e-06% change) linmin: converged after 5 iterations. iteration 1391: trace = 2.393044676916462 (1.79619e-06% change) linmin: converged after 6 iterations. iteration 1392: trace = 2.393044599321871 (3.2425e-06% change) linmin: converged after 8 iterations. iteration 1393: trace = 2.393044558794039 (1.69357e-06% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.39304453182369 (1.12703e-06% change) large trace change predicted (3.21347e-06%) linmin: converged after 14 iterations. iteration 1395: trace = 2.393044454923096 (3.2135e-06% change) linmin: converged after 10 iterations. iteration 1396: trace = 2.393044427490997 (1.14633e-06% change) linmin: converged after 17 iterations. iteration 1397: trace = 2.39304440311078 (1.01879e-06% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.393044358744777 (1.85396e-06% change) linmin: converged after 10 iterations. iteration 1399: trace = 2.393044343179163 (6.50452e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1400: trace = 2.393044317327115 (1.0803e-06% change) linmin: converged after 7 iterations. iteration 1401: trace = 2.393044305443318 (4.96597e-07% change) large trace change predicted (1.44587e-06%) linmin: converged after 9 iterations. iteration 1402: trace = 2.393044270842982 (1.44587e-06% change) linmin: converged after 4 iterations. iteration 1403: trace = 2.393044258847891 (5.01248e-07% change) large trace change predicted (1.16614e-06%) linmin: converged after 4 iterations. iteration 1404: trace = 2.393044230941894 (1.16613e-06% change) linmin: converged after 5 iterations. iteration 1405: trace = 2.393044209751821 (8.85486e-07% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.393044196817415 (5.405e-07% change) linmin: converged after 4 iterations. iteration 1407: trace = 2.393044176109413 (8.65341e-07% change) linmin: converged after 4 iterations. iteration 1408: trace = 2.393044165731455 (4.33672e-07% change) large trace change predicted (1.11444e-06%) linmin: converged after 9 iterations. iteration 1409: trace = 2.39304413906244 (1.11444e-06% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.39304409266283 (1.93894e-06% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.393044078486318 (5.92405e-07% change) large trace change predicted (2.66756e-06%) linmin: converged after 4 iterations. iteration 1412: trace = 2.393044014650757 (2.66755e-06% change) linmin: converged after 13 iterations. iteration 1413: trace = 2.393043996954741 (7.39477e-07% change) large trace change predicted (3.02008e-06%) linmin: converged after 4 iterations. iteration 1414: trace = 2.393043924683424 (3.02006e-06% change) linmin: converged after 22 iterations. iteration 1415: trace = 2.393043867848928 (2.37499e-06% change) linmin: converged after 6 iterations. iteration 1416: trace = 2.393043789572758 (3.27099e-06% change) linmin: converged after 4 iterations. iteration 1417: trace = 2.393043680263648 (4.56779e-06% change) linmin: converged after 4 iterations. iteration 1418: trace = 2.393043604443347 (3.16836e-06% change) large trace change predicted (7.53611e-06%) linmin: converged after 5 iterations. iteration 1419: trace = 2.393043424104625 (7.53596e-06% change) linmin: converged after 5 iterations. iteration 1420: trace = 2.39304335850579 (2.74123e-06% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.393043254417022 (4.34964e-06% change) linmin: converged after 7 iterations. iteration 1422: trace = 2.393043214948686 (1.64929e-06% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.393043156058355 (2.4609e-06% change) linmin: converged after 7 iterations. iteration 1424: trace = 2.393043140534718 (6.48699e-07% change) large trace change predicted (1.5403e-06%) linmin: converged after 4 iterations. iteration 1425: trace = 2.393043103674845 (1.54029e-06% change) linmin: converged after 4 iterations. iteration 1426: trace = 2.393043096206218 (3.12097e-07% change) large trace change predicted (1.23265e-06%) linmin: converged after 4 iterations. iteration 1427: trace = 2.393043066708647 (1.23264e-06% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.393043056058448 (4.45048e-07% change) linmin: converged after 4 iterations. iteration 1429: trace = 2.393043039632064 (6.86422e-07% change) linmin: converged after 8 iterations. iteration 1430: trace = 2.393043027183602 (5.20194e-07% change) linmin: converged after 7 iterations. iteration 1431: trace = 2.393043008271917 (7.90278e-07% change) linmin: converged after 4 iterations. iteration 1432: trace = 2.39304298706774 (8.86076e-07% change) linmin: converged after 4 iterations. iteration 1433: trace = 2.393042975421163 (4.86685e-07% change) large trace change predicted (1.02001e-06%) linmin: converged after 4 iterations. iteration 1434: trace = 2.393042951012751 (1.01997e-06% change) linmin: converged after 4 iterations. iteration 1435: trace = 2.393042942802929 (3.4307e-07% change) large trace change predicted (1.14417e-06%) linmin: converged after 4 iterations. iteration 1436: trace = 2.393042915422527 (1.14417e-06% change) linmin: converged after 4 iterations. iteration 1437: trace = 2.393042901946042 (5.63153e-07% change) linmin: converged after 4 iterations. iteration 1438: trace = 2.393042881506296 (8.54132e-07% change) linmin: converged after 6 iterations. iteration 1439: trace = 2.393042848905756 (1.3623e-06% change) linmin: converged after 4 iterations. iteration 1440: trace = 2.393042831795804 (7.14987e-07% change) large trace change predicted (1.90196e-06%) linmin: converged after 4 iterations. iteration 1441: trace = 2.393042786282017 (1.90192e-06% change) linmin: converged after 5 iterations. iteration 1442: trace = 2.393042762916123 (9.76409e-07% change) large trace change predicted (2.96397e-06%) linmin: converged after 4 iterations. iteration 1443: trace = 2.393042691987336 (2.96396e-06% change) linmin: converged after 4 iterations. iteration 1444: trace = 2.393042661584713 (1.27046e-06% change) linmin: converged after 6 iterations. iteration 1445: trace = 2.393042635600736 (1.08581e-06% change) linmin: converged after 4 iterations. iteration 1446: trace = 2.393042584170177 (2.14917e-06% change) linmin: converged after 7 iterations. iteration 1447: trace = 2.393042571609209 (5.24895e-07% change) linmin: converged after 5 iterations. iteration 1448: trace = 2.39304254672289 (1.03994e-06% change) linmin: converged after 4 iterations. iteration 1449: trace = 2.393042537491473 (3.85761e-07% change) linmin: converged after 4 iterations. iteration 1450: trace = 2.393042523151057 (5.99255e-07% change) linmin: converged after 4 iterations. iteration 1451: trace = 2.393042515401576 (3.23834e-07% change) linmin: converged after 5 iterations. iteration 1452: trace = 2.393042508762096 (2.77449e-07% change) linmin: converged after 5 iterations. iteration 1453: trace = 2.393042498119603 (4.44726e-07% change) linmin: converged after 4 iterations. iteration 1454: trace = 2.393042495550245 (1.07368e-07% change) large trace change predicted (3.63934e-07%) linmin: converged after 4 iterations. iteration 1455: trace = 2.393042486840826 (3.63948e-07% change) linmin: converged after 15 iterations. iteration 1456: trace = 2.393042482976052 (1.615e-07% change) large trace change predicted (4.02781e-07%) linmin: converged after 4 iterations. iteration 1457: trace = 2.393042473337595 (4.0277e-07% change) linmin: converged after 4 iterations. iteration 1458: trace = 2.393042466889655 (2.69445e-07% change) large trace change predicted (6.96831e-07%) linmin: converged after 6 iterations. iteration 1459: trace = 2.393042450214296 (6.96827e-07% change) linmin: converged after 13 iterations. iteration 1460: trace = 2.393042435095394 (6.31786e-07% change) large trace change predicted (1.29455e-06%) linmin: converged after 4 iterations. iteration 1461: trace = 2.393042404115828 (1.29457e-06% change) linmin: converged after 4 iterations. iteration 1462: trace = 2.393042360797549 (1.81018e-06% change) linmin: converged after 5 iterations. iteration 1463: trace = 2.393042331725098 (1.21487e-06% change) large trace change predicted (2.61606e-06%) linmin: converged after 4 iterations. iteration 1464: trace = 2.3930422691221 (2.61604e-06% change) linmin: converged after 4 iterations. iteration 1465: trace = 2.393042245090208 (1.00424e-06% change) linmin: converged after 4 iterations. iteration 1466: trace = 2.393042202360237 (1.78559e-06% change) linmin: converged after 4 iterations. iteration 1467: trace = 2.393042186873802 (6.47144e-07% change) linmin: converged after 4 iterations. iteration 1468: trace = 2.393042159970332 (1.12424e-06% change) linmin: converged after 7 iterations. iteration 1469: trace = 2.393042147368954 (5.26584e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1470: trace = 2.393042136548106 (4.5218e-07% change) linmin: converged after 5 iterations. iteration 1471: trace = 2.393042120431873 (6.73462e-07% change) linmin: converged after 13 iterations. iteration 1472: trace = 2.393042100687925 (8.25056e-07% change) linmin: converged after 10 iterations. iteration 1473: trace = 2.393042086277536 (6.02179e-07% change) large trace change predicted (1.28027e-06%) linmin: converged after 11 iterations. iteration 1474: trace = 2.393042055640114 (1.28027e-06% change) linmin: converged after 4 iterations. iteration 1475: trace = 2.393042046666956 (3.74969e-07% change) large trace change predicted (1.10879e-06%) linmin: converged after 4 iterations. iteration 1476: trace = 2.393042020132585 (1.10881e-06% change) linmin: converged after 6 iterations. iteration 1477: trace = 2.393042014240082 (2.46235e-07% change) large trace change predicted (5.5522e-07%) linmin: converged after 4 iterations. iteration 1478: trace = 2.393042000952688 (5.55251e-07% change) linmin: converged after 9 iterations. iteration 1479: trace = 2.393041993325322 (3.18731e-07% change) linmin: converged after 4 iterations. iteration 1480: trace = 2.393041985948087 (3.08279e-07% change) large trace change predicted (6.94694e-07%) linmin: converged after 5 iterations. iteration 1481: trace = 2.393041969323515 (6.94705e-07% change) linmin: converged after 4 iterations. iteration 1482: trace = 2.39304195675522 (5.25202e-07% change) large trace change predicted (1.11844e-06%) linmin: converged after 3 iterations. iteration 1483: trace = 2.393041929990341 (1.11845e-06% change) linmin: converged after 6 iterations. iteration 1484: trace = 2.393041881010526 (2.04676e-06% change) linmin: converged after 4 iterations. iteration 1485: trace = 2.393041865018243 (6.68283e-07% change) large trace change predicted (1.95539e-06%) linmin: converged after 4 iterations. iteration 1486: trace = 2.393041818225622 (1.95536e-06% change) linmin: converged after 4 iterations. iteration 1487: trace = 2.393041786233193 (1.33689e-06% change) linmin: converged after 4 iterations. iteration 1488: trace = 2.393041764731115 (8.98525e-07% change) linmin: converged after 4 iterations. iteration 1489: trace = 2.393041732595506 (1.34288e-06% change) linmin: converged after 5 iterations. iteration 1490: trace = 2.393041726403632 (2.58745e-07% change) large trace change predicted (6.73454e-07%) linmin: converged after 4 iterations. iteration 1491: trace = 2.393041710287322 (6.73465e-07% change) linmin: converged after 3 iterations. iteration 1492: trace = 2.39304170358024 (2.80274e-07% change) linmin: converged after 4 iterations. iteration 1493: trace = 2.39304169836967 (2.17738e-07% change) linmin: converged after 4 iterations. iteration 1494: trace = 2.393041688544389 (4.10577e-07% change) linmin: converged after 4 iterations. iteration 1495: trace = 2.39304168054873 (3.34121e-07% change) linmin: converged after 4 iterations. iteration 1496: trace = 2.393041670164577 (4.33931e-07% change) linmin: converged after 4 iterations. iteration 1497: trace = 2.393041649895999 (8.4698e-07% change) linmin: converged after 3 iterations. iteration 1498: trace = 2.393041641532912 (3.49475e-07% change) large trace change predicted (9.06592e-07%) linmin: converged after 6 iterations. iteration 1499: trace = 2.393041619837381 (9.06609e-07% change) linmin: converged after 7 iterations. iteration 1500: trace = 2.393041593964983 (1.08115e-06% change) linmin: converged after 4 iterations. iteration 1501: trace = 2.393041575070336 (7.89566e-07% change) large trace change predicted (1.57987e-06%) linmin: converged after 7 iterations. iteration 1502: trace = 2.393041537263086 (1.57988e-06% change) linmin: converged after 4 iterations. iteration 1503: trace = 2.393041525101689 (5.08198e-07% change) large trace change predicted (2.48299e-06%) linmin: converged after 5 iterations. iteration 1504: trace = 2.393041465681474 (2.48304e-06% change) linmin: converged after 4 iterations. iteration 1505: trace = 2.393041434254244 (1.31328e-06% change) linmin: converged after 4 iterations. iteration 1506: trace = 2.393041385020626 (2.05737e-06% change) linmin: converged after 4 iterations. iteration 1507: trace = 2.393041340422551 (1.86366e-06% change) linmin: converged after 4 iterations. iteration 1508: trace = 2.393041326245856 (5.92413e-07% change) large trace change predicted (1.18774e-06%) linmin: converged after 5 iterations. iteration 1509: trace = 2.393041297822866 (1.18774e-06% change) linmin: converged after 4 iterations. iteration 1510: trace = 2.393041288709364 (3.80833e-07% change) linmin: converged after 15 iterations. iteration 1511: trace = 2.393041272254406 (6.87617e-07% change) linmin: converged after 4 iterations. iteration 1512: trace = 2.393041265101723 (2.98895e-07% change) linmin: converged after 4 iterations. iteration 1513: trace = 2.393041254927728 (4.25149e-07% change) linmin: converged after 4 iterations. iteration 1514: trace = 2.393041246505341 (3.51953e-07% change) linmin: converged after 4 iterations. iteration 1515: trace = 2.393041239630398 (2.87289e-07% change) large trace change predicted (9.37233e-07%) linmin: converged after 4 iterations. iteration 1516: trace = 2.39304121720214 (9.37228e-07% change) linmin: converged after 4 iterations. iteration 1517: trace = 2.393041209533915 (3.20438e-07% change) large trace change predicted (2.15833e-06%) linmin: converged after 4 iterations. iteration 1518: trace = 2.393041157884193 (2.15833e-06% change) linmin: converged after 4 iterations. iteration 1519: trace = 2.393041143204537 (6.13431e-07% change) linmin: converged after 5 iterations. iteration 1520: trace = 2.393041117377532 (1.07925e-06% change) linmin: converged after 5 iterations. iteration 1521: trace = 2.393041086670575 (1.28318e-06% change) linmin: converged after 4 iterations. iteration 1522: trace = 2.393041071073566 (6.51765e-07% change) large trace change predicted (1.91148e-06%) linmin: converged after 4 iterations. iteration 1523: trace = 2.393041025330543 (1.9115e-06% change) linmin: converged after 11 iterations. iteration 1524: trace = 2.393041014386847 (4.57313e-07% change) large trace change predicted (1.44187e-06%) linmin: converged after 2 iterations. iteration 1525: trace = 2.393040979882485 (1.44186e-06% change) linmin: converged after 8 iterations. iteration 1526: trace = 2.393040972922209 (2.90855e-07% change) linmin: converged after 9 iterations. iteration 1527: trace = 2.393040959635565 (5.5522e-07% change) linmin: converged after 4 iterations. iteration 1528: trace = 2.393040948763026 (4.5434e-07% change) linmin: converged after 11 iterations. iteration 1529: trace = 2.393040929348199 (8.11304e-07% change) linmin: converged after 6 iterations. iteration 1530: trace = 2.393040912492855 (7.04348e-07% change) linmin: converged after 4 iterations. iteration 1531: trace = 2.393040904353395 (3.4013e-07% change) linmin: converged after 4 iterations. iteration 1532: trace = 2.393040895074797 (3.87733e-07% change) linmin: converged after 7 iterations. iteration 1533: trace = 2.393040887966783 (2.97029e-07% change) linmin: converged after 4 iterations. iteration 1534: trace = 2.39304088473714 (1.3496e-07% change) linmin: converged after 4 iterations. iteration 1535: trace = 2.393040879782963 (2.07024e-07% change) linmin: converged after 4 iterations. iteration 1536: trace = 2.393040875433655 (1.81748e-07% change) linmin: converged after 4 iterations. iteration 1537: trace = 2.393040870054897 (2.24767e-07% change) linmin: converged after 6 iterations. iteration 1538: trace = 2.393040868133536 (8.02895e-08% change) large trace change predicted (5.60159e-07%) linmin: converged after 6 iterations. iteration 1539: trace = 2.393040854728649 (5.60161e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1540: trace = 2.393040846794583 (3.31547e-07% change) linmin: converged after 4 iterations. iteration 1541: trace = 2.393040839758284 (2.94032e-07% change) linmin: converged after 4 iterations. iteration 1542: trace = 2.39304083543161 (1.80802e-07% change) linmin: converged after 5 iterations. iteration 1543: trace = 2.393040830813279 (1.9299e-07% change) linmin: converged after 9 iterations. iteration 1544: trace = 2.393040822632801 (3.41844e-07% change) linmin: converged after 4 iterations. iteration 1545: trace = 2.393040820074101 (1.06923e-07% change) large trace change predicted (4.14473e-07%) linmin: converged after 4 iterations. iteration 1546: trace = 2.393040810155397 (4.14481e-07% change) linmin: converged after 4 iterations. iteration 1547: trace = 2.393040806324217 (1.60097e-07% change) large trace change predicted (6.23616e-07%) linmin: converged after 4 iterations. iteration 1548: trace = 2.393040791400556 (6.23628e-07% change) linmin: converged after 4 iterations. iteration 1549: trace = 2.393040783576778 (3.26939e-07% change) large trace change predicted (6.86578e-07%) linmin: converged after 4 iterations. iteration 1550: trace = 2.393040767146828 (6.86572e-07% change) linmin: converged after 6 iterations. iteration 1551: trace = 2.393040755370885 (4.92091e-07% change) linmin: converged after 4 iterations. iteration 1552: trace = 2.393040745746947 (4.02164e-07% change) large trace change predicted (9.1558e-07%) linmin: converged after 4 iterations. iteration 1553: trace = 2.393040723837213 (9.1556e-07% change) linmin: converged after 14 iterations. iteration 1554: trace = 2.393040712715856 (4.64737e-07% change) large trace change predicted (1.22891e-06%) linmin: converged after 4 iterations. iteration 1555: trace = 2.393040683307668 (1.2289e-06% change) linmin: converged after 4 iterations. iteration 1556: trace = 2.39304067525139 (3.36654e-07% change) large trace change predicted (9.39644e-07%) linmin: converged after 4 iterations. iteration 1557: trace = 2.393040652765202 (9.39649e-07% change) linmin: converged after 4 iterations. iteration 1558: trace = 2.393040635201327 (7.33956e-07% change) linmin: converged after 4 iterations. iteration 1559: trace = 2.393040616804273 (7.68773e-07% change) linmin: converged after 4 iterations. iteration 1560: trace = 2.393040588653364 (1.17637e-06% change) linmin: converged after 13 iterations. iteration 1561: trace = 2.393040576846696 (4.93375e-07% change) linmin: converged after 4 iterations. iteration 1562: trace = 2.393040562742854 (5.89369e-07% change) linmin: converged after 16 iterations. iteration 1563: trace = 2.393040558864877 (1.62052e-07% change) linmin: converged after 8 iterations. iteration 1564: trace = 2.393040551966171 (2.88282e-07% change) linmin: converged after 4 iterations. iteration 1565: trace = 2.393040545470763 (2.71429e-07% change) linmin: converged after 9 iterations. iteration 1566: trace = 2.393040539815847 (2.36307e-07% change) linmin: converged after 13 iterations. iteration 1567: trace = 2.39304052929807 (4.39515e-07% change) linmin: converged after 4 iterations. iteration 1568: trace = 2.393040525338454 (1.65464e-07% change) large trace change predicted (5.71985e-07%) linmin: converged after 17 iterations. iteration 1569: trace = 2.393040511650633 (5.71985e-07% change) linmin: converged after 7 iterations. iteration 1570: trace = 2.393040503011514 (3.6101e-07% change) linmin: converged after 4 iterations. iteration 1571: trace = 2.393040489915184 (5.47267e-07% change) large trace change predicted (1.32425e-06%) linmin: converged after 4 iterations. iteration 1572: trace = 2.393040458225228 (1.32425e-06% change) linmin: converged after 7 iterations. iteration 1573: trace = 2.393040447293773 (4.56802e-07% change) large trace change predicted (1.44134e-06%) linmin: converged after 4 iterations. iteration 1574: trace = 2.393040412802363 (1.44132e-06% change) linmin: converged after 4 iterations. iteration 1575: trace = 2.393040405226142 (3.16594e-07% change) large trace change predicted (8.9362e-07%) linmin: converged after 4 iterations. iteration 1576: trace = 2.393040383841121 (8.93634e-07% change) linmin: converged after 4 iterations. iteration 1577: trace = 2.393040378425415 (2.26311e-07% change) linmin: converged after 3 iterations. iteration 1578: trace = 2.393040368090171 (4.31888e-07% change) linmin: converged after 4 iterations. iteration 1579: trace = 2.393040362721061 (2.24364e-07% change) linmin: converged after 4 iterations. iteration 1580: trace = 2.393040355559958 (2.99247e-07% change) linmin: converged after 4 iterations. iteration 1581: trace = 2.393040349616177 (2.48378e-07% change) linmin: converged after 4 iterations. iteration 1582: trace = 2.393040342680266 (2.89837e-07% change) linmin: converged after 4 iterations. iteration 1583: trace = 2.393040339779458 (1.21218e-07% change) large trace change predicted (2.53118e-07%) linmin: converged after 4 iterations. iteration 1584: trace = 2.393040333722471 (2.53108e-07% change) linmin: converged after 4 iterations. iteration 1585: trace = 2.393040332403908 (5.50999e-08% change) large trace change predicted (1.17414e-07%) linmin: converged after 3 iterations. iteration 1586: trace = 2.39304032959441 (1.17403e-07% change) linmin: converged after 4 iterations. iteration 1587: trace = 2.393040327573919 (8.4432e-08% change) linmin: converged after 5 iterations. iteration 1588: trace = 2.393040324923278 (1.10765e-07% change) linmin: converged after 9 iterations. iteration 1589: trace = 2.393040321174981 (1.56633e-07% change) linmin: converged after 4 iterations. iteration 1590: trace = 2.39304031728698 (1.62471e-07% change) large trace change predicted (3.43055e-07%) linmin: converged after 7 iterations. iteration 1591: trace = 2.393040309077787 (3.43044e-07% change) linmin: converged after 4 iterations. iteration 1592: trace = 2.39304030319758 (2.45721e-07% change) large trace change predicted (5.00735e-07%) linmin: converged after 7 iterations. iteration 1593: trace = 2.393040291214803 (5.00734e-07% change) linmin: converged after 4 iterations. iteration 1594: trace = 2.393040285657796 (2.32215e-07% change) large trace change predicted (7.5518e-07%) linmin: converged after 4 iterations. iteration 1595: trace = 2.39304026758619 (7.55174e-07% change) linmin: converged after 5 iterations. iteration 1596: trace = 2.393040260156152 (3.10485e-07% change) linmin: converged after 5 iterations. iteration 1597: trace = 2.39304024849246 (4.87401e-07% change) linmin: converged after 5 iterations. iteration 1598: trace = 2.393040241879537 (2.7634e-07% change) linmin: converged after 4 iterations. iteration 1599: trace = 2.393040233351875 (3.56353e-07% change) linmin: converged after 4 iterations. iteration 1600: trace = 2.393040228954549 (1.83755e-07% change) linmin: converged after 5 iterations. iteration 1601: trace = 2.393040225950311 (1.25541e-07% change) linmin: converged after 4 iterations. iteration 1602: trace = 2.393040222668372 (1.37145e-07% change) linmin: converged after 4 iterations. iteration 1603: trace = 2.393040221259799 (5.88612e-08% change) large trace change predicted (1.7018e-07%) linmin: converged after 5 iterations. iteration 1604: trace = 2.393040217187468 (1.70174e-07% change) linmin: converged after 4 iterations. iteration 1605: trace = 2.393040215517221 (6.9796e-08% change) large trace change predicted (3.49481e-07%) linmin: converged after 5 iterations. iteration 1606: trace = 2.393040207153975 (3.49482e-07% change) linmin: converged after 4 iterations. iteration 1607: trace = 2.393040202462497 (1.96047e-07% change) linmin: converged after 4 iterations. iteration 1608: trace = 2.393040195280202 (3.00133e-07% change) linmin: converged after 8 iterations. iteration 1609: trace = 2.393040189667386 (2.34547e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1610: trace = 2.39304018718256 (1.03836e-07% change) linmin: converged after 9 iterations. iteration 1611: trace = 2.393040182931914 (1.77625e-07% change) linmin: converged after 4 iterations. iteration 1612: trace = 2.393040178208604 (1.97377e-07% change) linmin: converged after 4 iterations. iteration 1613: trace = 2.393040175099676 (1.29915e-07% change) linmin: converged after 4 iterations. iteration 1614: trace = 2.393040169009963 (2.54476e-07% change) linmin: converged after 3 iterations. iteration 1615: trace = 2.39304016378598 (2.18299e-07% change) linmin: converged after 4 iterations. iteration 1616: trace = 2.393040160235442 (1.48369e-07% change) linmin: converged after 4 iterations. iteration 1617: trace = 2.39304015486111 (2.24582e-07% change) linmin: converged after 3 iterations. iteration 1618: trace = 2.39304015328522 (6.5853e-08% change) large trace change predicted (1.99454e-07%) linmin: converged after 8 iterations. iteration 1619: trace = 2.393040148512031 (1.99461e-07% change) linmin: converged after 3 iterations. iteration 1620: trace = 2.393040146285257 (9.30521e-08% change) linmin: converged after 8 iterations. iteration 1621: trace = 2.393040143599275 (1.12241e-07% change) large trace change predicted (3.1216e-07%) linmin: converged after 4 iterations. iteration 1622: trace = 2.393040136129033 (3.12165e-07% change) linmin: converged after 6 iterations. iteration 1623: trace = 2.393040131772109 (1.82066e-07% change) large trace change predicted (7.17307e-07%) linmin: converged after 5 iterations. iteration 1624: trace = 2.393040114606595 (7.1731e-07% change) linmin: converged after 4 iterations. iteration 1625: trace = 2.393040103331501 (4.71162e-07% change) linmin: converged after 4 iterations. iteration 1626: trace = 2.393040090893176 (5.19771e-07% change) linmin: converged after 12 iterations. iteration 1627: trace = 2.393040085166731 (2.39296e-07% change) linmin: converged after 4 iterations. iteration 1628: trace = 2.393040082167952 (1.25313e-07% change) linmin: converged after 4 iterations. iteration 1629: trace = 2.393040077925505 (1.77283e-07% change) linmin: converged after 4 iterations. iteration 1630: trace = 2.393040077041571 (3.69377e-08% change) large trace change predicted (1.20255e-07%) linmin: converged after 4 iterations. iteration 1631: trace = 2.393040074163912 (1.20251e-07% change) linmin: converged after 5 iterations. iteration 1632: trace = 2.393040073018217 (4.78761e-08% change) large trace change predicted (1.5778e-07%) linmin: converged after 4 iterations. iteration 1633: trace = 2.393040069242464 (1.57781e-07% change) linmin: converged after 4 iterations. iteration 1634: trace = 2.393040066056172 (1.33148e-07% change) linmin: converged after 7 iterations. iteration 1635: trace = 2.393040064186434 (7.81323e-08% change) large trace change predicted (2.17729e-07%) linmin: converged after 4 iterations. iteration 1636: trace = 2.393040058975924 (2.17736e-07% change) linmin: converged after 18 iterations. iteration 1637: trace = 2.393040056631994 (9.79478e-08% change) large trace change predicted (2.06355e-07%) linmin: converged after 21 iterations. iteration 1638: trace = 2.393040051693809 (2.06356e-07% change) linmin: converged after 7 iterations. iteration 1639: trace = 2.393040044919326 (2.83091e-07% change) linmin: converged after 4 iterations. iteration 1640: trace = 2.393040038455272 (2.70119e-07% change) large trace change predicted (6.5649e-07%) linmin: converged after 4 iterations. iteration 1641: trace = 2.393040022745184 (6.56491e-07% change) linmin: converged after 4 iterations. iteration 1642: trace = 2.393040017785466 (2.07256e-07% change) large trace change predicted (5.7597e-07%) linmin: converged after 13 iterations. iteration 1643: trace = 2.393040004001944 (5.75984e-07% change) linmin: converged after 4 iterations. iteration 1644: trace = 2.393039992584766 (4.77099e-07% change) linmin: converged after 8 iterations. iteration 1645: trace = 2.393039986722047 (2.4499e-07% change) large trace change predicted (6.18843e-07%) linmin: converged after 4 iterations. iteration 1646: trace = 2.393039971912742 (6.18849e-07% change) linmin: converged after 4 iterations. iteration 1647: trace = 2.393039968652185 (1.36252e-07% change) large trace change predicted (4.0906e-07%) linmin: converged after 4 iterations. iteration 1648: trace = 2.393039958862991 (4.09069e-07% change) linmin: converged after 4 iterations. iteration 1649: trace = 2.393039955687987 (1.32677e-07% change) linmin: converged after 4 iterations. iteration 1650: trace = 2.393039952499427 (1.33243e-07% change) linmin: converged after 17 iterations. iteration 1651: trace = 2.393039948875656 (1.5143e-07% change) linmin: converged after 15 iterations. iteration 1652: trace = 2.393039947780938 (4.57459e-08% change) large trace change predicted (1.43921e-07%) linmin: converged after 8 iterations. iteration 1653: trace = 2.393039944337343 (1.439e-07% change) linmin: converged after 4 iterations. iteration 1654: trace = 2.393039940819313 (1.47011e-07% change) linmin: converged after 4 iterations. iteration 1655: trace = 2.393039933794701 (2.93543e-07% change) linmin: converged after 11 iterations. iteration 1656: trace = 2.393039926019022 (3.24929e-07% change) linmin: converged after 3 iterations. iteration 1657: trace = 2.393039918181645 (3.27507e-07% change) linmin: converged after 3 iterations. iteration 1658: trace = 2.393039904667981 (5.64707e-07% change) linmin: converged after 4 iterations. iteration 1659: trace = 2.39303989890842 (2.4068e-07% change) linmin: converged after 6 iterations. iteration 1660: trace = 2.39303989132106 (3.1706e-07% change) linmin: converged after 5 iterations. iteration 1661: trace = 2.393039883645333 (3.20752e-07% change) linmin: converged after 4 iterations. iteration 1662: trace = 2.393039879392801 (1.77704e-07% change) linmin: converged after 4 iterations. iteration 1663: trace = 2.393039872002189 (3.08838e-07% change) linmin: converged after 6 iterations. iteration 1664: trace = 2.393039869276012 (1.13921e-07% change) large trace change predicted (2.59296e-07%) linmin: converged after 4 iterations. iteration 1665: trace = 2.393039863070807 (2.59302e-07% change) linmin: converged after 4 iterations. iteration 1666: trace = 2.393039858189046 (2.03998e-07% change) linmin: converged after 5 iterations. iteration 1667: trace = 2.393039856356828 (7.65645e-08% change) large trace change predicted (2.25229e-07%) linmin: converged after 4 iterations. iteration 1668: trace = 2.393039850966869 (2.25235e-07% change) linmin: converged after 4 iterations. iteration 1669: trace = 2.393039849961905 (4.19953e-08% change) large trace change predicted (1.31283e-07%) linmin: converged after 4 iterations. iteration 1670: trace = 2.393039846820505 (1.31272e-07% change) linmin: converged after 4 iterations. iteration 1671: trace = 2.393039844534271 (9.55368e-08% change) linmin: converged after 4 iterations. iteration 1672: trace = 2.393039843655392 (3.67265e-08% change) large trace change predicted (9.20826e-08%) linmin: converged after 4 iterations. iteration 1673: trace = 2.393039841451974 (9.20761e-08% change) linmin: converged after 6 iterations. iteration 1674: trace = 2.393039840143291 (5.4687e-08% change) large trace change predicted (2.01592e-07%) linmin: converged after 4 iterations. iteration 1675: trace = 2.393039835318635 (2.01612e-07% change) linmin: converged after 4 iterations. iteration 1676: trace = 2.393039832311233 (1.25673e-07% change) large trace change predicted (3.40831e-07%) linmin: converged after 4 iterations. iteration 1677: trace = 2.393039824154822 (3.40839e-07% change) large trace change predicted (9.72107e-07%) linmin: converged after 4 iterations. iteration 1678: trace = 2.393039800892087 (9.721e-07% change) linmin: converged after 7 iterations. iteration 1679: trace = 2.39303977955218 (8.91749e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1680: trace = 2.393039764010439 (6.49456e-07% change) linmin: converged after 4 iterations. iteration 1681: trace = 2.393039750055962 (5.83128e-07% change) linmin: converged after 4 iterations. iteration 1682: trace = 2.393039739693763 (4.33014e-07% change) linmin: converged after 4 iterations. iteration 1683: trace = 2.393039736613394 (1.28722e-07% change) linmin: converged after 4 iterations. iteration 1684: trace = 2.393039730625631 (2.50216e-07% change) linmin: converged after 4 iterations. iteration 1685: trace = 2.393039729934849 (2.88663e-08% change) large trace change predicted (7.98981e-08%) linmin: converged after 21 iterations. iteration 1686: trace = 2.393039728022628 (7.99076e-08% change) linmin: converged after 4 iterations. iteration 1687: trace = 2.39303972641626 (6.71267e-08% change) linmin: converged after 15 iterations. iteration 1688: trace = 2.393039725780088 (2.65842e-08% change) large trace change predicted (6.05568e-08%) linmin: converged after 4 iterations. iteration 1689: trace = 2.393039724331282 (6.05425e-08% change) linmin: converged after 5 iterations. iteration 1690: trace = 2.393039721840434 (1.04087e-07% change) linmin: converged after 4 iterations. iteration 1691: trace = 2.393039720421821 (5.92808e-08% change) large trace change predicted (1.84038e-07%) linmin: converged after 21 iterations. iteration 1692: trace = 2.393039716017662 (1.8404e-07% change) linmin: converged after 2 iterations. iteration 1693: trace = 2.393039713790926 (9.30505e-08% change) linmin: converged after 4 iterations. iteration 1694: trace = 2.393039710845707 (1.23074e-07% change) linmin: converged after 3 iterations. iteration 1695: trace = 2.393039707018541 (1.59929e-07% change) linmin: converged after 4 iterations. iteration 1696: trace = 2.393039704780546 (9.3521e-08% change) large trace change predicted (2.38218e-07%) linmin: converged after 4 iterations. iteration 1697: trace = 2.3930396990801 (2.38209e-07% change) linmin: converged after 4 iterations. iteration 1698: trace = 2.393039694084266 (2.08765e-07% change) linmin: converged after 4 iterations. iteration 1699: trace = 2.393039692247144 (7.67694e-08% change) large trace change predicted (2.55589e-07%) linmin: converged after 12 iterations. iteration 1700: trace = 2.393039686131317 (2.55567e-07% change) linmin: converged after 3 iterations. iteration 1701: trace = 2.393039682285895 (1.60692e-07% change) linmin: converged after 6 iterations. iteration 1702: trace = 2.39303967855377 (1.55957e-07% change) linmin: converged after 2 iterations. iteration 1703: trace = 2.393039673036079 (2.30572e-07% change) linmin: converged after 4 iterations. iteration 1704: trace = 2.393039671430901 (6.70769e-08% change) linmin: converged after 4 iterations. iteration 1705: trace = 2.393039668355911 (1.28497e-07% change) linmin: converged after 5 iterations. iteration 1706: trace = 2.393039667680652 (2.82176e-08% change) linmin: converged after 4 iterations. iteration 1707: trace = 2.393039666376056 (5.45163e-08% change) linmin: converged after 6 iterations. iteration 1708: trace = 2.393039665824615 (2.30435e-08% change) large trace change predicted (4.93479e-08%) linmin: converged after 12 iterations. iteration 1709: trace = 2.393039664643942 (4.93378e-08% change) linmin: converged after 5 iterations. iteration 1710: trace = 2.393039663040258 (6.70145e-08% change) linmin: converged after 6 iterations. iteration 1711: trace = 2.393039661111772 (8.05873e-08% change) linmin: converged after 4 iterations. iteration 1712: trace = 2.393039657473133 (1.52051e-07% change) linmin: converged after 4 iterations. iteration 1713: trace = 2.393039655456989 (8.42504e-08% change) large trace change predicted (2.23248e-07%) linmin: converged after 3 iterations. iteration 1714: trace = 2.393039650114785 (2.23239e-07% change) linmin: converged after 4 iterations. iteration 1715: trace = 2.393039647737429 (9.93446e-08% change) linmin: converged after 18 iterations. iteration 1716: trace = 2.393039643349094 (1.83379e-07% change) linmin: converged after 15 iterations. iteration 1717: trace = 2.393039639653405 (1.54435e-07% change) linmin: converged after 7 iterations. iteration 1718: trace = 2.39303963643279 (1.34583e-07% change) linmin: converged after 4 iterations. iteration 1719: trace = 2.393039632658464 (1.57721e-07% change) linmin: converged after 9 iterations. iteration 1720: trace = 2.393039631218924 (6.01553e-08% change) large trace change predicted (1.30652e-07%) linmin: converged after 3 iterations. iteration 1721: trace = 2.393039628092728 (1.30637e-07% change) linmin: converged after 2 iterations. iteration 1722: trace = 2.393039627286453 (3.36925e-08% change) linmin: converged after 4 iterations. iteration 1723: trace = 2.393039625736548 (6.47672e-08% change) linmin: converged after 24 iterations. iteration 1724: trace = 2.393039624649981 (4.54053e-08% change) linmin: converged after 7 iterations. iteration 1725: trace = 2.393039623860726 (3.29813e-08% change) linmin: converged after 4 iterations. iteration 1726: trace = 2.39303962257965 (5.35334e-08% change) linmin: converged after 4 iterations. iteration 1727: trace = 2.39303962206265 (2.16043e-08% change) linmin: converged after 9 iterations. iteration 1728: trace = 2.393039621317967 (3.11187e-08% change) linmin: converged after 4 iterations. iteration 1729: trace = 2.393039620836857 (2.01045e-08% change) linmin: converged after 4 iterations. iteration 1730: trace = 2.393039620220901 (2.57395e-08% change) linmin: converged after 12 iterations. iteration 1731: trace = 2.393039619854805 (1.52984e-08% change) large trace change predicted (5.47441e-08%) linmin: converged after 15 iterations. iteration 1732: trace = 2.39303961854509 (5.47302e-08% change) linmin: converged after 6 iterations. iteration 1733: trace = 2.393039617970964 (2.39915e-08% change) large trace change predicted (8.7852e-08%) linmin: converged after 6 iterations. iteration 1734: trace = 2.393039615868747 (8.78472e-08% change) linmin: converged after 4 iterations. iteration 1735: trace = 2.393039614439605 (5.97208e-08% change) large trace change predicted (1.21435e-07%) linmin: converged after 8 iterations. iteration 1736: trace = 2.393039611533673 (1.21433e-07% change) linmin: converged after 4 iterations. iteration 1737: trace = 2.393039609270611 (9.45685e-08% change) linmin: converged after 4 iterations. iteration 1738: trace = 2.393039605687984 (1.4971e-07% change) linmin: converged after 4 iterations. iteration 1739: trace = 2.393039604795215 (3.73069e-08% change) large trace change predicted (1.06678e-07%) linmin: converged after 3 iterations. iteration 1740: trace = 2.393039602242241 (1.06683e-07% change) linmin: converged after 8 iterations. iteration 1741: trace = 2.393039601477468 (3.19582e-08% change) linmin: converged after 4 iterations. iteration 1742: trace = 2.393039600237158 (5.18299e-08% change) linmin: converged after 7 iterations. iteration 1743: trace = 2.393039599567867 (2.79682e-08% change) linmin: converged after 5 iterations. iteration 1744: trace = 2.393039599073902 (2.06418e-08% change) linmin: converged after 3 iterations. iteration 1745: trace = 2.393039598422529 (2.72195e-08% change) linmin: converged after 8 iterations. iteration 1746: trace = 2.393039598036147 (1.61461e-08% change) large trace change predicted (4.51394e-08%) linmin: converged after 8 iterations. iteration 1747: trace = 2.393039596956115 (4.51322e-08% change) linmin: converged after 14 iterations. iteration 1748: trace = 2.393039596321787 (2.65072e-08% change) large trace change predicted (7.90315e-08%) linmin: converged after 15 iterations. iteration 1749: trace = 2.393039594430727 (7.90233e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1750: trace = 2.393039593907173 (2.18782e-08% change) linmin: converged after 4 iterations. iteration 1751: trace = 2.393039593420764 (2.0326e-08% change) linmin: converged after 4 iterations. iteration 1752: trace = 2.39303959273847 (2.85116e-08% change) linmin: converged after 3 iterations. iteration 1753: trace = 2.393039592362321 (1.57185e-08% change) linmin: converged after 3 iterations. iteration 1754: trace = 2.393039591834003 (2.20773e-08% change) large trace change predicted (5.85305e-08%) linmin: converged after 18 iterations. iteration 1755: trace = 2.393039590433271 (5.85336e-08% change) linmin: converged after 4 iterations. iteration 1756: trace = 2.393039590085956 (1.45136e-08% change) large trace change predicted (7.01621e-08%) linmin: converged after 5 iterations. iteration 1757: trace = 2.393039588406655 (7.01744e-08% change) linmin: converged after 16 iterations. iteration 1758: trace = 2.393039586857253 (6.47462e-08% change) linmin: converged after 4 iterations. iteration 1759: trace = 2.393039586270855 (2.45043e-08% change) large trace change predicted (6.00454e-08%) linmin: converged after 4 iterations. iteration 1760: trace = 2.393039584833722 (6.00547e-08% change) linmin: converged after 12 iterations. iteration 1761: trace = 2.393039583698161 (4.74526e-08% change) linmin: converged after 4 iterations. iteration 1762: trace = 2.393039583088097 (2.54933e-08% change) large trace change predicted (1.17534e-07%) linmin: converged after 4 iterations. iteration 1763: trace = 2.393039580275759 (1.17522e-07% change) linmin: converged after 4 iterations. iteration 1764: trace = 2.393039579470448 (3.36522e-08% change) large trace change predicted (1.21013e-07%) linmin: converged after 3 iterations. iteration 1765: trace = 2.393039576574571 (1.21013e-07% change) linmin: converged after 18 iterations. iteration 1766: trace = 2.393039575236267 (5.59249e-08% change) linmin: converged after 24 iterations. iteration 1767: trace = 2.39303957429082 (3.95082e-08% change) linmin: converged after 15 iterations. iteration 1768: trace = 2.393039572447418 (7.70318e-08% change) linmin: converged after 4 iterations. iteration 1769: trace = 2.393039571723361 (3.02568e-08% change) linmin: converged after 13 iterations. iteration 1770: trace = 2.393039570725867 (4.16831e-08% change) linmin: converged after 4 iterations. iteration 1771: trace = 2.393039570156724 (2.37833e-08% change) linmin: converged after 4 iterations. iteration 1772: trace = 2.393039569973194 (7.66929e-09% change) large trace change predicted (1.97065e-08%) linmin: converged after 4 iterations. iteration 1773: trace = 2.393039569501248 (1.97216e-08% change) linmin: converged after 6 iterations. iteration 1774: trace = 2.393039568825229 (2.82494e-08% change) linmin: converged after 4 iterations. iteration 1775: trace = 2.39303956850532 (1.33683e-08% change) large trace change predicted (7.00244e-08%) linmin: converged after 3 iterations. iteration 1776: trace = 2.393039566829835 (7.0015e-08% change) linmin: converged after 8 iterations. iteration 1777: trace = 2.393039564616725 (9.24811e-08% change) linmin: converged after 4 iterations. iteration 1778: trace = 2.393039562203077 (1.00861e-07% change) linmin: converged after 4 iterations. iteration 1779: trace = 2.393039558363005 (1.60468e-07% change) linmin: converged after 4 iterations. iteration 1780: trace = 2.3930395566286 (7.24771e-08% change) linmin: converged after 4 iterations. iteration 1781: trace = 2.393039553776727 (1.19174e-07% change) linmin: converged after 5 iterations. iteration 1782: trace = 2.393039551186797 (1.08228e-07% change) linmin: converged after 4 iterations. iteration 1783: trace = 2.39303955064044 (2.28311e-08% change) large trace change predicted (8.77814e-08%) linmin: converged after 4 iterations. iteration 1784: trace = 2.393039548539862 (8.77787e-08% change) linmin: converged after 4 iterations. iteration 1785: trace = 2.393039547972618 (2.37039e-08% change) linmin: converged after 5 iterations. iteration 1786: trace = 2.393039546964365 (4.21328e-08% change) linmin: converged after 4 iterations. iteration 1787: trace = 2.393039545797441 (4.87633e-08% change) linmin: converged after 4 iterations. iteration 1788: trace = 2.393039545237163 (2.34128e-08% change) large trace change predicted (5.90909e-08%) linmin: converged after 5 iterations. iteration 1789: trace = 2.393039543822896 (5.90992e-08% change) linmin: converged after 12 iterations. iteration 1790: trace = 2.393039543032467 (3.30303e-08% change) linmin: converged after 4 iterations. iteration 1791: trace = 2.393039542577954 (1.89931e-08% change) linmin: converged after 8 iterations. iteration 1792: trace = 2.393039541763135 (3.40496e-08% change) linmin: converged after 6 iterations. iteration 1793: trace = 2.393039541043551 (3.00699e-08% change) linmin: converged after 4 iterations. iteration 1794: trace = 2.393039539963685 (4.51253e-08% change) large trace change predicted (1.10838e-07%) linmin: converged after 15 iterations. iteration 1795: trace = 2.393039537311493 (1.10829e-07% change) linmin: converged after 4 iterations. iteration 1796: trace = 2.393039536333442 (4.08707e-08% change) large trace change predicted (1.75768e-07%) linmin: converged after 5 iterations. iteration 1797: trace = 2.39303953212755 (1.75755e-07% change) linmin: converged after 9 iterations. iteration 1798: trace = 2.393039529326443 (1.17052e-07% change) linmin: converged after 4 iterations. iteration 1799: trace = 2.393039528185163 (4.76917e-08% change) linmin: converged after 4 iterations. iteration 1800: trace = 2.393039526870903 (5.49201e-08% change) linmin: converged after 4 iterations. iteration 1801: trace = 2.393039526155441 (2.98976e-08% change) linmin: converged after 3 iterations. iteration 1802: trace = 2.39303952518417 (4.05874e-08% change) linmin: converged after 5 iterations. iteration 1803: trace = 2.393039524266048 (3.83664e-08% change) linmin: converged after 5 iterations. iteration 1804: trace = 2.39303952384891 (1.74313e-08% change) linmin: converged after 4 iterations. iteration 1805: trace = 2.393039523062919 (3.28449e-08% change) linmin: converged after 4 iterations. iteration 1806: trace = 2.393039522721636 (1.42615e-08% change) linmin: converged after 3 iterations. iteration 1807: trace = 2.393039522211775 (2.1306e-08% change) linmin: converged after 6 iterations. iteration 1808: trace = 2.393039521398135 (3.40003e-08% change) linmin: converged after 6 iterations. iteration 1809: trace = 2.393039521165752 (9.71081e-09% change) large trace change predicted (3.80548e-08%) linmin: converged after 3 iterations. iteration 1810: trace = 2.3930395202551 (3.80542e-08% change) linmin: converged after 15 iterations. iteration 1811: trace = 2.393039519938909 (1.32129e-08% change) large trace change predicted (3.44102e-08%) linmin: converged after 13 iterations. iteration 1812: trace = 2.393039519115651 (3.44022e-08% change) linmin: converged after 3 iterations. iteration 1813: trace = 2.393039518426034 (2.88176e-08% change) linmin: converged after 15 iterations. iteration 1814: trace = 2.393039518035018 (1.63397e-08% change) large trace change predicted (1.68317e-07%) linmin: converged after 4 iterations. iteration 1815: trace = 2.393039514007436 (1.68304e-07% change) linmin: converged after 5 iterations. iteration 1816: trace = 2.393039512300944 (7.13106e-08% change) large trace change predicted (4.1775e-07%) linmin: converged after 4 iterations. iteration 1817: trace = 2.393039502304406 (4.17734e-07% change) linmin: converged after 4 iterations. iteration 1818: trace = 2.393039495015239 (3.04599e-07% change) linmin: converged after 9 iterations. iteration 1819: trace = 2.393039488570439 (2.69314e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1820: trace = 2.393039484081988 (1.87563e-07% change) linmin: converged after 22 iterations. iteration 1821: trace = 2.393039479568118 (1.88625e-07% change) linmin: converged after 5 iterations. iteration 1822: trace = 2.39303947350885 (2.53204e-07% change) linmin: converged after 4 iterations. iteration 1823: trace = 2.393039472501099 (4.21117e-08% change) large trace change predicted (1.00227e-07%) linmin: converged after 5 iterations. iteration 1824: trace = 2.393039470102659 (1.00226e-07% change) linmin: converged after 5 iterations. iteration 1825: trace = 2.393039469587826 (2.15138e-08% change) linmin: converged after 7 iterations. iteration 1826: trace = 2.393039469284597 (1.26713e-08% change) linmin: converged after 9 iterations. iteration 1827: trace = 2.393039468989501 (1.23314e-08% change) linmin: converged after 3 iterations. iteration 1828: trace = 2.393039468762381 (9.49086e-09% change) linmin: converged after 4 iterations. iteration 1829: trace = 2.393039468582002 (7.53763e-09% change) large trace change predicted (1.64284e-08%) linmin: converged after 4 iterations. iteration 1830: trace = 2.393039468188831 (1.64298e-08% change) linmin: converged after 3 iterations. iteration 1831: trace = 2.393039468077939 (4.63395e-09% change) large trace change predicted (1.58455e-08%) linmin: converged after 9 iterations. iteration 1832: trace = 2.393039467698462 (1.58575e-08% change) linmin: converged after 3 iterations. iteration 1833: trace = 2.393039467482168 (9.03845e-09% change) linmin: converged after 18 iterations. iteration 1834: trace = 2.393039467374841 (4.48495e-09% change) large trace change predicted (1.43701e-08%) linmin: converged after 4 iterations. iteration 1835: trace = 2.393039467030893 (1.43729e-08% change) linmin: converged after 3 iterations. iteration 1836: trace = 2.393039466657457 (1.56051e-08% change) linmin: converged after 4 iterations. iteration 1837: trace = 2.393039466447072 (8.7915e-09% change) large trace change predicted (2.66367e-08%) linmin: converged after 3 iterations. iteration 1838: trace = 2.393039465809741 (2.66327e-08% change) linmin: converged after 5 iterations. iteration 1839: trace = 2.393039465355733 (1.8972e-08% change) linmin: converged after 15 iterations. iteration 1840: trace = 2.393039464852271 (2.10386e-08% change) linmin: converged after 4 iterations. iteration 1841: trace = 2.393039463876717 (4.07663e-08% change) linmin: converged after 4 iterations. iteration 1842: trace = 2.393039463386607 (2.04806e-08% change) linmin: converged after 3 iterations. iteration 1843: trace = 2.39303946247426 (3.8125e-08% change) linmin: converged after 3 iterations. iteration 1844: trace = 2.393039461892562 (2.43079e-08% change) linmin: converged after 4 iterations. iteration 1845: trace = 2.39303946153948 (1.47545e-08% change) linmin: converged after 3 iterations. iteration 1846: trace = 2.393039461269766 (1.12708e-08% change) linmin: converged after 9 iterations. iteration 1847: trace = 2.393039461177974 (3.83582e-09% change) linmin: converged after 3 iterations. iteration 1848: trace = 2.393039461018711 (6.65523e-09% change) linmin: converged after 5 iterations. iteration 1849: trace = 2.3930394607626 (1.07023e-08% change) linmin: converged after 5 iterations. iteration 1850: trace = 2.393039460614487 (6.18931e-09% change) large trace change predicted (1.47165e-08%) linmin: converged after 12 iterations. iteration 1851: trace = 2.393039460262448 (1.4711e-08% change) linmin: converged after 4 iterations. iteration 1852: trace = 2.393039460137845 (5.20689e-09% change) large trace change predicted (1.17363e-08%) linmin: converged after 5 iterations. iteration 1853: trace = 2.393039459856961 (1.17375e-08% change) linmin: converged after 12 iterations. iteration 1854: trace = 2.393039459634852 (9.28148e-09% change) linmin: converged after 4 iterations. iteration 1855: trace = 2.393039459337167 (1.24396e-08% change) linmin: converged after 15 iterations. iteration 1856: trace = 2.393039458920251 (1.7422e-08% change) linmin: converged after 5 iterations. iteration 1857: trace = 2.393039458671261 (1.04048e-08% change) large trace change predicted (3.21123e-08%) linmin: converged after 3 iterations. iteration 1858: trace = 2.393039457902927 (3.2107e-08% change) linmin: converged after 5 iterations. iteration 1859: trace = 2.393039457625665 (1.15862e-08% change) large trace change predicted (3.00343e-08%) linmin: converged after 3 iterations. iteration 1860: trace = 2.393039456907079 (3.00282e-08% change) linmin: converged after 4 iterations. iteration 1861: trace = 2.393039456614725 (1.22168e-08% change) linmin: converged after 4 iterations. iteration 1862: trace = 2.393039456209651 (1.69272e-08% change) linmin: converged after 4 iterations. iteration 1863: trace = 2.393039455745036 (1.94152e-08% change) linmin: converged after 3 iterations. iteration 1864: trace = 2.393039455610807 (5.60915e-09% change) large trace change predicted (1.26266e-08%) linmin: converged after 4 iterations. iteration 1865: trace = 2.393039455308747 (1.26225e-08% change) linmin: converged after 4 iterations. iteration 1866: trace = 2.393039455241222 (2.82171e-09% change) large trace change predicted (6.66801e-09%) linmin: converged after 12 iterations. iteration 1867: trace = 2.393039455081451 (6.6765e-09% change) linmin: converged after 3 iterations. iteration 1868: trace = 2.393039455035793 (1.90796e-09% change) linmin: converged after 6 iterations. iteration 1869: trace = 2.393039454965693 (2.92931e-09% change) linmin: converged after 9 iterations. iteration 1870: trace = 2.39303945485351 (4.68789e-09% change) linmin: converged after 16 iterations. iteration 1871: trace = 2.393039454815288 (1.59723e-09% change) large trace change predicted (8.30957e-09%) linmin: converged after 4 iterations. iteration 1872: trace = 2.39303945461575 (8.33824e-09% change) linmin: converged after 4 iterations. iteration 1873: trace = 2.393039454542886 (3.04485e-09% change) large trace change predicted (1.46625e-08%) linmin: converged after 5 iterations. iteration 1874: trace = 2.393039454191828 (1.467e-08% change) linmin: converged after 4 iterations. iteration 1875: trace = 2.393039453902738 (1.20805e-08% change) linmin: converged after 8 iterations. iteration 1876: trace = 2.393039453663679 (9.98976e-09% change) large trace change predicted (2.14744e-08%) linmin: converged after 4 iterations. iteration 1877: trace = 2.393039453149391 (2.1491e-08% change) linmin: converged after 3 iterations. iteration 1878: trace = 2.393039453036628 (4.71215e-09% change) large trace change predicted (1.02485e-08%) linmin: converged after 6 iterations. iteration 1879: trace = 2.393039452791139 (1.02585e-08% change) linmin: converged after 3 iterations. iteration 1880: trace = 2.393039452714517 (3.20186e-09% change) linmin: converged after 9 iterations. iteration 1881: trace = 2.393039452573159 (5.90703e-09% change) linmin: converged after 9 iterations. iteration 1882: trace = 2.393039452507627 (2.73844e-09% change) linmin: converged after 4 iterations. iteration 1883: trace = 2.393039452386425 (5.06478e-09% change) linmin: converged after 3 iterations. iteration 1884: trace = 2.393039452227881 (6.62523e-09% change) linmin: converged after 15 iterations. iteration 1885: trace = 2.393039452127997 (4.17392e-09% change) linmin: converged after 12 iterations. iteration 1886: trace = 2.393039451946437 (7.58701e-09% change) linmin: converged after 6 iterations. iteration 1887: trace = 2.393039451900567 (1.91681e-09% change) large trace change predicted (4.3894e-09%) linmin: converged after 6 iterations. iteration 1888: trace = 2.393039451795502 (4.39044e-09% change) linmin: converged after 5 iterations. iteration 1889: trace = 2.393039451755762 (1.66064e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1890: trace = 2.393039451734298 (8.9696e-10% change) large trace change predicted (1.9434e-09%) linmin: converged after 4 iterations. iteration 1891: trace = 2.3930394516882 (1.92635e-09% change) linmin: converged after 6 iterations. iteration 1892: trace = 2.393039451626216 (2.59015e-09% change) linmin: converged after 6 iterations. iteration 1893: trace = 2.393039451575114 (2.13545e-09% change) large trace change predicted (6.37908e-09%) linmin: converged after 6 iterations. iteration 1894: trace = 2.393039451422565 (6.37468e-09% change) linmin: converged after 3 iterations. iteration 1895: trace = 2.393039451352757 (2.91715e-09% change) large trace change predicted (7.30897e-09%) linmin: converged after 4 iterations. iteration 1896: trace = 2.39303945117764 (7.31778e-09% change) linmin: converged after 4 iterations. iteration 1897: trace = 2.393039451014691 (6.80928e-09% change) linmin: converged after 5 iterations. iteration 1898: trace = 2.393039450928482 (3.60248e-09% change) linmin: converged after 3 iterations. iteration 1899: trace = 2.393039450766429 (6.77187e-09% change) linmin: converged after 10 iterations. iteration 1900: trace = 2.393039450619521 (6.13894e-09% change) linmin: converged after 9 iterations. iteration 1901: trace = 2.393039450481397 (5.77193e-09% change) large trace change predicted (1.37452e-08%) linmin: converged after 6 iterations. iteration 1902: trace = 2.39303945015247 (1.37451e-08% change) linmin: converged after 13 iterations. iteration 1903: trace = 2.393039450075025 (3.23627e-09% change) large trace change predicted (1.02231e-08%) linmin: converged after 5 iterations. iteration 1904: trace = 2.393039449830154 (1.02326e-08% change) linmin: converged after 4 iterations. iteration 1905: trace = 2.393039449594766 (9.83635e-09% change) linmin: converged after 5 iterations. iteration 1906: trace = 2.39303944946226 (5.53716e-09% change) linmin: converged after 3 iterations. iteration 1907: trace = 2.393039449276768 (7.75132e-09% change) linmin: converged after 4 iterations. iteration 1908: trace = 2.393039449097325 (7.49851e-09% change) linmin: converged after 4 iterations. iteration 1909: trace = 2.393039449014233 (3.47225e-09% change) linmin: converged after 3 iterations. iteration 1910: trace = 2.39303944891337 (4.21488e-09% change) linmin: converged after 4 iterations. iteration 1911: trace = 2.393039448891721 (9.04643e-10% change) large trace change predicted (2.88798e-09%) linmin: converged after 3 iterations. iteration 1912: trace = 2.393039448822574 (2.8895e-09% change) linmin: converged after 4 iterations. iteration 1913: trace = 2.393039448767053 (2.32012e-09% change) linmin: converged after 5 iterations. iteration 1914: trace = 2.393039448712644 (2.27363e-09% change) large trace change predicted (9.76691e-09%) linmin: converged after 4 iterations. iteration 1915: trace = 2.393039448479089 (9.75976e-09% change) linmin: converged after 4 iterations. iteration 1916: trace = 2.393039448401244 (3.25299e-09% change) large trace change predicted (1.54244e-08%) linmin: converged after 4 iterations. iteration 1917: trace = 2.393039448032157 (1.54233e-08% change) linmin: converged after 4 iterations. iteration 1918: trace = 2.393039447852846 (7.49301e-09% change) large trace change predicted (2.05023e-08%) linmin: converged after 5 iterations. iteration 1919: trace = 2.39303944736242 (2.04939e-08% change) linmin: converged after 4 iterations. iteration 1920: trace = 2.393039447052423 (1.29541e-08% change) linmin: converged after 3 iterations. iteration 1921: trace = 2.393039446896045 (6.5347e-09% change) linmin: converged after 14 iterations. iteration 1922: trace = 2.393039446616436 (1.16843e-08% change) linmin: converged after 6 iterations. iteration 1923: trace = 2.393039446530206 (3.60337e-09% change) large trace change predicted (1.233e-08%) linmin: converged after 4 iterations. iteration 1924: trace = 2.393039446235395 (1.23195e-08% change) linmin: converged after 4 iterations. iteration 1925: trace = 2.393039446120371 (4.80661e-09% change) large trace change predicted (9.74189e-09%) linmin: converged after 4 iterations. iteration 1926: trace = 2.39303944588754 (9.72951e-09% change) linmin: converged after 3 iterations. iteration 1927: trace = 2.393039445710361 (7.40394e-09% change) linmin: converged after 5 iterations. iteration 1928: trace = 2.393039445643736 (2.78411e-09% change) linmin: converged after 5 iterations. iteration 1929: trace = 2.393039445510909 (5.55054e-09% change) linmin: converged after 5 iterations. iteration 1930: trace = 2.393039445448921 (2.59037e-09% change) linmin: converged after 3 iterations. iteration 1931: trace = 2.393039445383455 (2.73568e-09% change) linmin: converged after 7 iterations. iteration 1932: trace = 2.393039445265108 (4.94545e-09% change) linmin: converged after 4 iterations. iteration 1933: trace = 2.393039445204703 (2.5242e-09% change) large trace change predicted (6.85489e-09%) linmin: converged after 4 iterations. iteration 1934: trace = 2.393039445040955 (6.84268e-09% change) linmin: converged after 9 iterations. iteration 1935: trace = 2.393039444780994 (1.08632e-08% change) linmin: converged after 15 iterations. iteration 1936: trace = 2.393039444628465 (6.37388e-09% change) large trace change predicted (2.51985e-08%) linmin: converged after 9 iterations. iteration 1937: trace = 2.39303944402551 (2.51962e-08% change) linmin: converged after 3 iterations. iteration 1938: trace = 2.393039443912818 (4.70914e-09% change) large trace change predicted (1.27572e-08%) linmin: converged after 3 iterations. iteration 1939: trace = 2.393039443607804 (1.27459e-08% change) linmin: converged after 9 iterations. iteration 1940: trace = 2.393039443377261 (9.63387e-09% change) linmin: converged after 4 iterations. iteration 1941: trace = 2.393039443293673 (3.49299e-09% change) large trace change predicted (9.05967e-09%) linmin: converged after 4 iterations. iteration 1942: trace = 2.39303944307701 (9.05387e-09% change) linmin: converged after 12 iterations. iteration 1943: trace = 2.393039443036209 (1.70499e-09% change) large trace change predicted (3.51877e-09%) linmin: converged after 6 iterations. iteration 1944: trace = 2.393039442951618 (3.53486e-09% change) linmin: converged after 4 iterations. iteration 1945: trace = 2.39303944288621 (2.73327e-09% change) linmin: converged after 3 iterations. iteration 1946: trace = 2.393039442848446 (1.57808e-09% change) large trace change predicted (4.29332e-09%) linmin: converged after 4 iterations. iteration 1947: trace = 2.393039442745376 (4.30707e-09% change) linmin: converged after 12 iterations. iteration 1948: trace = 2.393039442693334 (2.17472e-09% change) linmin: converged after 3 iterations. iteration 1949: trace = 2.393039442620927 (3.02573e-09% change) linmin: converged after 9 iterations. iteration 1950: trace = 2.393039442476341 (6.04194e-09% change) linmin: converged after 9 iterations. iteration 1951: trace = 2.393039442436673 (1.65763e-09% change) large trace change predicted (4.87469e-09%) linmin: converged after 4 iterations. iteration 1952: trace = 2.393039442320204 (4.86701e-09% change) linmin: converged after 4 iterations. iteration 1953: trace = 2.393039442258929 (2.56055e-09% change) large trace change predicted (6.13875e-09%) linmin: converged after 3 iterations. iteration 1954: trace = 2.393039442112094 (6.1359e-09% change) linmin: converged after 4 iterations. iteration 1955: trace = 2.393039441868849 (1.01647e-08% change) linmin: converged after 12 iterations. iteration 1956: trace = 2.393039441709076 (6.67659e-09% change) large trace change predicted (3.27133e-08%) linmin: converged after 3 iterations. iteration 1957: trace = 2.393039440926726 (3.26927e-08% change) linmin: converged after 18 iterations. iteration 1958: trace = 2.393039440677581 (1.04112e-08% change) large trace change predicted (7.17879e-08%) linmin: converged after 5 iterations. iteration 1959: trace = 2.39303943895953 (7.17937e-08% change) resetting CG direction... linmin: converged after 14 iterations. iteration 1960: trace = 2.393039438323334 (2.65853e-08% change) linmin: converged after 4 iterations. iteration 1961: trace = 2.393039437789052 (2.23265e-08% change) linmin: converged after 3 iterations. iteration 1962: trace = 2.39303943725397 (2.23599e-08% change) linmin: converged after 7 iterations. iteration 1963: trace = 2.393039437131799 (5.10527e-09% change) large trace change predicted (1.04084e-08%) linmin: converged after 3 iterations. iteration 1964: trace = 2.39303943688254 (1.0416e-08% change) linmin: converged after 3 iterations. iteration 1965: trace = 2.393039436760738 (5.08987e-09% change) linmin: converged after 6 iterations. iteration 1966: trace = 2.393039436709493 (2.14139e-09% change) linmin: converged after 4 iterations. iteration 1967: trace = 2.393039436637749 (2.99803e-09% change) linmin: converged after 5 iterations. iteration 1968: trace = 2.393039436599232 (1.60955e-09% change) linmin: converged after 4 iterations. iteration 1969: trace = 2.393039436576352 (9.56103e-10% change) large trace change predicted (2.35154e-09%) linmin: converged after 4 iterations. iteration 1970: trace = 2.393039436520354 (2.34003e-09% change) linmin: converged after 3 iterations. iteration 1971: trace = 2.393039436492496 (1.16413e-09% change) linmin: converged after 3 iterations. iteration 1972: trace = 2.393039436457791 (1.45027e-09% change) linmin: converged after 4 iterations. iteration 1973: trace = 2.393039436417563 (1.68102e-09% change) linmin: converged after 4 iterations. iteration 1974: trace = 2.393039436403412 (5.91373e-10% change) large trace change predicted (1.25697e-09%) linmin: converged after 3 iterations. iteration 1975: trace = 2.393039436373034 (1.26941e-09% change) linmin: converged after 3 iterations. iteration 1976: trace = 2.393039436328327 (1.86821e-09% change) linmin: converged after 3 iterations. iteration 1977: trace = 2.393039436305597 (9.4983e-10% change) large trace change predicted (3.66733e-09%) linmin: converged after 4 iterations. iteration 1978: trace = 2.393039436217674 (3.67413e-09% change) linmin: converged after 3 iterations. iteration 1979: trace = 2.393039436189774 (1.16586e-09% change) large trace change predicted (5.08872e-09%) linmin: converged after 4 iterations. iteration 1980: trace = 2.393039436067618 (5.10464e-09% change) linmin: converged after 9 iterations. iteration 1981: trace = 2.393039435981243 (3.60946e-09% change) linmin: converged after 13 iterations. iteration 1982: trace = 2.393039435894592 (3.62095e-09% change) large trace change predicted (7.30211e-09%) linmin: converged after 3 iterations. iteration 1983: trace = 2.393039435719951 (7.29788e-09% change) linmin: converged after 4 iterations. iteration 1984: trace = 2.393039435671572 (2.02166e-09% change) linmin: converged after 8 iterations. iteration 1985: trace = 2.393039435594718 (3.21153e-09% change) linmin: converged after 4 iterations. iteration 1986: trace = 2.393039435549982 (1.86945e-09% change) linmin: converged after 3 iterations. iteration 1987: trace = 2.393039435537185 (5.34754e-10% change) large trace change predicted (1.21466e-09%) linmin: converged after 4 iterations. iteration 1988: trace = 2.393039435508208 (1.2109e-09% change) linmin: converged after 4 iterations. iteration 1989: trace = 2.393039435492325 (6.63692e-10% change) linmin: converged after 5 iterations. iteration 1990: trace = 2.393039435475317 (7.10754e-10% change) large trace change predicted (2.0028e-09%) linmin: converged after 4 iterations. iteration 1991: trace = 2.393039435427377 (2.0033e-09% change) linmin: converged after 6 iterations. iteration 1992: trace = 2.393039435409912 (7.29831e-10% change) large trace change predicted (2.97063e-09%) linmin: converged after 4 iterations. iteration 1993: trace = 2.393039435338368 (2.98964e-09% change) linmin: converged after 4 iterations. iteration 1994: trace = 2.393039435310971 (1.14489e-09% change) linmin: converged after 4 iterations. iteration 1995: trace = 2.393039435265988 (1.87975e-09% change) linmin: converged after 3 iterations. iteration 1996: trace = 2.393039435217393 (2.03066e-09% change) linmin: converged after 4 iterations. iteration 1997: trace = 2.39303943519499 (9.36191e-10% change) large trace change predicted (3.3027e-09%) linmin: converged after 6 iterations. iteration 1998: trace = 2.393039435115994 (3.30105e-09% change) linmin: converged after 7 iterations. iteration 1999: trace = 2.393039435074365 (1.7396e-09% change) large trace change predicted (6.16853e-09%) linmin: converged after 6 iterations. iteration 2000: trace = 2.393039434926903 (6.16212e-09% change) linmin: converged after 4 iterations. iteration 2001: trace = 2.393039434880057 (1.9576e-09% change) linmin: converged after 4 iterations. iteration 2002: trace = 2.393039434814421 (2.74279e-09% change) linmin: converged after 4 iterations. iteration 2003: trace = 2.393039434763783 (2.11604e-09% change) linmin: converged after 4 iterations. iteration 2004: trace = 2.393039434744991 (7.85299e-10% change) large trace change predicted (1.63782e-09%) linmin: converged after 3 iterations. iteration 2005: trace = 2.393039434705584 (1.64672e-09% change) linmin: converged after 4 iterations. iteration 2006: trace = 2.393039434699242 (2.65002e-10% change) large trace change predicted (8.61629e-10%) linmin: converged after 3 iterations. iteration 2007: trace = 2.393039434679038 (8.44294e-10% change) linmin: converged after 4 iterations. iteration 2008: trace = 2.393039434675229 (1.59168e-10% change) large trace change predicted (5.14992e-10%) linmin: converged after 3 iterations. iteration 2009: trace = 2.393039434662688 (5.24046e-10% change) linmin: converged after 4 iterations. iteration 2010: trace = 2.393039434647076 (6.52427e-10% change) linmin: converged after 3 iterations. iteration 2011: trace = 2.393039434637269 (4.09788e-10% change) large trace change predicted (1.36503e-09%) linmin: converged after 3 iterations. iteration 2012: trace = 2.393039434604628 (1.364e-09% change) linmin: converged after 5 iterations. iteration 2013: trace = 2.393039434595156 (3.95814e-10% change) large trace change predicted (1.88283e-09%) linmin: converged after 3 iterations. iteration 2014: trace = 2.393039434550104 (1.88263e-09% change) linmin: converged after 5 iterations. iteration 2015: trace = 2.393039434523842 (1.09746e-09% change) linmin: converged after 6 iterations. iteration 2016: trace = 2.393039434486109 (1.57676e-09% change) linmin: converged after 3 iterations. iteration 2017: trace = 2.3930394344467 (1.64681e-09% change) linmin: converged after 9 iterations. iteration 2018: trace = 2.393039434423467 (9.70875e-10% change) linmin: converged after 4 iterations. iteration 2019: trace = 2.393039434378958 (1.85991e-09% change) linmin: converged after 5 iterations. iteration 2020: trace = 2.393039434370328 (3.60647e-10% change) large trace change predicted (1.14174e-09%) linmin: converged after 3 iterations. iteration 2021: trace = 2.393039434343038 (1.1404e-09% change) linmin: converged after 5 iterations. iteration 2022: trace = 2.393039434333263 (4.08451e-10% change) large trace change predicted (1.11508e-09%) linmin: converged after 4 iterations. iteration 2023: trace = 2.393039434306579 (1.1151e-09% change) linmin: converged after 3 iterations. iteration 2024: trace = 2.393039434291962 (6.10803e-10% change) linmin: converged after 3 iterations. iteration 2025: trace = 2.393039434276927 (6.28284e-10% change) linmin: converged after 4 iterations. iteration 2026: trace = 2.393039434252486 (1.02133e-09% change) linmin: converged after 3 iterations. iteration 2027: trace = 2.393039434245335 (2.98813e-10% change) large trace change predicted (6.67383e-10%) linmin: converged after 5 iterations. iteration 2028: trace = 2.393039434230231 (6.3116e-10% change) linmin: converged after 3 iterations. iteration 2029: trace = 2.393039434227043 (1.33225e-10% change) resetting CG direction... linmin: converged after 7 iterations. iteration 2030: trace = 2.393039434225272 (7.40075e-11% change) Finished solving for bands 2 to 10 after 2030 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 elapsed time for k point: 19.39186191558838 solve_kpoint (0.166667,0,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.472606412328673 (8.48024% change) linmin: converged after 6 iterations. iteration 2: trace = 2.453425735718083 (0.778748% change) linmin: converged after 6 iterations. iteration 3: trace = 2.442844414785593 (0.43222% change) linmin: converged after 7 iterations. iteration 4: trace = 2.431161847827217 (0.479383% change) linmin: converged after 7 iterations. iteration 5: trace = 2.426060280234586 (0.210061% change) linmin: converged after 5 iterations. iteration 6: trace = 2.423173498768208 (0.119061% change) linmin: converged after 11 iterations. iteration 7: trace = 2.421004983712137 (0.0895308% change) linmin: converged after 4 iterations. iteration 8: trace = 2.419230595188513 (0.0733183% change) linmin: converged after 6 iterations. iteration 9: trace = 2.418879976299798 (0.014494% change) linmin: converged after 4 iterations. iteration 10: trace = 2.418217818337571 (0.0273783% change) linmin: converged after 4 iterations. iteration 11: trace = 2.417916624344721 (0.012456% change) linmin: converged after 4 iterations. iteration 12: trace = 2.417553425304854 (0.0150223% change) linmin: converged after 4 iterations. iteration 13: trace = 2.417324401496046 (0.00947382% change) linmin: converged after 3 iterations. iteration 14: trace = 2.417053485842457 (0.0112079% change) linmin: converged after 4 iterations. iteration 15: trace = 2.416983346628101 (0.00290189% change) large trace change predicted (0.00610734%) linmin: converged after 3 iterations. iteration 16: trace = 2.416834145661213 (0.00617321% change) linmin: converged after 4 iterations. iteration 17: trace = 2.416789900407536 (0.00183073% change) large trace change predicted (0.00505463%) linmin: converged after 3 iterations. iteration 18: trace = 2.416666953862918 (0.00508731% change) linmin: converged after 4 iterations. iteration 19: trace = 2.416616686541779 (0.00208005% change) linmin: converged after 3 iterations. iteration 20: trace = 2.416550546368013 (0.00273693% change) linmin: converged after 4 iterations. iteration 21: trace = 2.416470730039696 (0.00330296% change) linmin: converged after 3 iterations. iteration 22: trace = 2.4163914643744 (0.00328028% change) linmin: converged after 4 iterations. iteration 23: trace = 2.416340839231842 (0.00209509% change) linmin: converged after 3 iterations. iteration 24: trace = 2.416269506309811 (0.00295215% change) linmin: converged after 6 iterations. iteration 25: trace = 2.416222969393447 (0.001926% change) linmin: converged after 3 iterations. iteration 26: trace = 2.416194250937182 (0.00118858% change) large trace change predicted (0.0053049%) linmin: converged after 4 iterations. iteration 27: trace = 2.416065964814718 (0.00530957% change) linmin: converged after 3 iterations. iteration 28: trace = 2.416019766014298 (0.00191217% change) large trace change predicted (0.00450154%) linmin: converged after 4 iterations. iteration 29: trace = 2.415911184348753 (0.00449434% change) linmin: converged after 3 iterations. iteration 30: trace = 2.415826339470812 (0.00351198% change) linmin: converged after 3 iterations. iteration 31: trace = 2.41570604851085 (0.00497941% change) linmin: converged after 3 iterations. iteration 32: trace = 2.415628012647992 (0.00323041% change) large trace change predicted (0.0107003%) linmin: converged after 4 iterations. iteration 33: trace = 2.41537053690965 (0.0106593% change) linmin: converged after 3 iterations. iteration 34: trace = 2.415301753630072 (0.00284777% change) large trace change predicted (0.00887828%) linmin: converged after 4 iterations. iteration 35: trace = 2.415087793103613 (0.00885893% change) linmin: converged after 3 iterations. iteration 36: trace = 2.414996316466689 (0.00378779% change) linmin: converged after 3 iterations. iteration 37: trace = 2.414847805921248 (0.0061497% change) linmin: converged after 4 iterations. iteration 38: trace = 2.414719199013656 (0.00532582% change) linmin: converged after 4 iterations. iteration 39: trace = 2.414561302620633 (0.00653913% change) linmin: converged after 5 iterations. iteration 40: trace = 2.41448413781134 (0.00319586% change) linmin: converged after 4 iterations. iteration 41: trace = 2.414383115285119 (0.00418411% change) linmin: converged after 3 iterations. iteration 42: trace = 2.414348691663321 (0.00142578% change) linmin: converged after 4 iterations. iteration 43: trace = 2.414292775582494 (0.00231602% change) linmin: converged after 3 iterations. iteration 44: trace = 2.414262873465236 (0.00123855% change) linmin: converged after 4 iterations. iteration 45: trace = 2.414243309095757 (0.000810369% change) linmin: converged after 3 iterations. iteration 46: trace = 2.414222004518059 (0.000882458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.41418937622007 (0.00135151% change) linmin: converged after 3 iterations. iteration 48: trace = 2.414175482017809 (0.000575524% change) large trace change predicted (0.00151722%) linmin: converged after 4 iterations. iteration 49: trace = 2.414139167146496 (0.00150425% change) linmin: converged after 3 iterations. iteration 50: trace = 2.414108647997533 (0.00126419% change) linmin: converged after 4 iterations. iteration 51: trace = 2.414084470600241 (0.00100151% change) linmin: converged after 3 iterations. iteration 52: trace = 2.414052008701353 (0.0013447% change) linmin: converged after 4 iterations. iteration 53: trace = 2.414006568578595 (0.00188234% change) linmin: converged after 3 iterations. iteration 54: trace = 2.413987583024687 (0.000786478% change) large trace change predicted (0.00171875%) linmin: converged after 4 iterations. iteration 55: trace = 2.41394637849652 (0.00170692% change) linmin: converged after 3 iterations. iteration 56: trace = 2.413918643338453 (0.00114896% change) linmin: converged after 6 iterations. iteration 57: trace = 2.413893202859717 (0.00105391% change) linmin: converged after 3 iterations. iteration 58: trace = 2.413859265637633 (0.00140592% change) linmin: converged after 4 iterations. iteration 59: trace = 2.413820630728176 (0.00160056% change) linmin: converged after 3 iterations. iteration 60: trace = 2.413793739214342 (0.00111407% change) linmin: converged after 4 iterations. iteration 61: trace = 2.413747575773504 (0.0019125% change) linmin: converged after 3 iterations. iteration 62: trace = 2.413717656691289 (0.00123954% change) linmin: converged after 4 iterations. iteration 63: trace = 2.413670794739782 (0.0019415% change) linmin: converged after 3 iterations. iteration 64: trace = 2.413608498811451 (0.002581% change) linmin: converged after 4 iterations. iteration 65: trace = 2.413550379958808 (0.00240799% change) linmin: converged after 4 iterations. iteration 66: trace = 2.413476905206978 (0.00304431% change) linmin: converged after 4 iterations. iteration 67: trace = 2.413393469715005 (0.00345713% change) linmin: converged after 3 iterations. iteration 68: trace = 2.413361590307507 (0.00132095% change) linmin: converged after 4 iterations. iteration 69: trace = 2.413309245029383 (0.002169% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.413292472384753 (0.000695008% change) linmin: converged after 3 iterations. iteration 71: trace = 2.413275763337027 (0.000692378% change) linmin: converged after 3 iterations. iteration 72: trace = 2.413247325367773 (0.0011784% change) linmin: converged after 5 iterations. iteration 73: trace = 2.41324098838247 (0.000262592% change) large trace change predicted (0.000686831%) linmin: converged after 3 iterations. iteration 74: trace = 2.413224390611433 (0.000687782% change) linmin: converged after 4 iterations. iteration 75: trace = 2.41321933697967 (0.000209414% change) linmin: converged after 3 iterations. iteration 76: trace = 2.413214508918284 (0.000200067% change) linmin: converged after 3 iterations. iteration 77: trace = 2.413206859948187 (0.000316962% change) linmin: converged after 3 iterations. iteration 78: trace = 2.413202709301081 (0.000171997% change) linmin: converged after 4 iterations. iteration 79: trace = 2.413195544942863 (0.000296882% change) large trace change predicted (0.000675767%) linmin: converged after 3 iterations. iteration 80: trace = 2.41317915913854 (0.000679011% change) linmin: converged after 3 iterations. iteration 81: trace = 2.413174521984215 (0.00019216% change) large trace change predicted (0.000670808%) linmin: converged after 3 iterations. iteration 82: trace = 2.413158321175334 (0.000671351% change) linmin: converged after 3 iterations. iteration 83: trace = 2.41313739852315 (0.000867027% change) linmin: converged after 6 iterations. iteration 84: trace = 2.413132084170826 (0.000220226% change) large trace change predicted (0.00137291%) linmin: converged after 4 iterations. iteration 85: trace = 2.413098630000145 (0.00138635% change) linmin: converged after 3 iterations. iteration 86: trace = 2.413088275807562 (0.000429084% change) linmin: converged after 3 iterations. iteration 87: trace = 2.413070019022158 (0.000756576% change) linmin: converged after 4 iterations. iteration 88: trace = 2.413059140351948 (0.000450824% change) linmin: converged after 3 iterations. iteration 89: trace = 2.413054828335151 (0.000178695% change) large trace change predicted (0.00037838%) linmin: converged after 3 iterations. iteration 90: trace = 2.413045686743834 (0.00037884% change) linmin: converged after 3 iterations. iteration 91: trace = 2.413029389278951 (0.000675392% change) linmin: converged after 4 iterations. iteration 92: trace = 2.413026337297859 (0.000126479% change) large trace change predicted (0.000680895%) linmin: converged after 4 iterations. iteration 93: trace = 2.413009863321784 (0.000682712% change) linmin: converged after 4 iterations. iteration 94: trace = 2.413004958688768 (0.000203258% change) linmin: converged after 3 iterations. iteration 95: trace = 2.413001010574182 (0.000163618% change) large trace change predicted (0.000575145%) linmin: converged after 3 iterations. iteration 96: trace = 2.41298711078796 (0.000576039% change) linmin: converged after 4 iterations. iteration 97: trace = 2.412981993123678 (0.000212089% change) linmin: converged after 26 iterations. iteration 98: trace = 2.412974960504182 (0.00029145% change) linmin: converged after 3 iterations. iteration 99: trace = 2.412971660124212 (0.000136776% change) linmin: converged after 5 iterations. iteration 100: trace = 2.412969726949497 (8.0116e-05% change) large trace change predicted (0.000185959%) linmin: converged after 4 iterations. iteration 101: trace = 2.412965239514389 (0.000185972% change) linmin: converged after 4 iterations. iteration 102: trace = 2.41295785452651 (0.000306055% change) linmin: converged after 3 iterations. iteration 103: trace = 2.412955647658458 (9.14591e-05% change) large trace change predicted (0.000451444%) linmin: converged after 4 iterations. iteration 104: trace = 2.412944804472996 (0.000449375% change) linmin: converged after 3 iterations. iteration 105: trace = 2.412939591976892 (0.000216022% change) large trace change predicted (0.000436704%) linmin: converged after 6 iterations. iteration 106: trace = 2.412929087882519 (0.000435325% change) linmin: converged after 5 iterations. iteration 107: trace = 2.412912388879401 (0.000692066% change) linmin: converged after 4 iterations. iteration 108: trace = 2.412882739501967 (0.00122879% change) linmin: converged after 4 iterations. iteration 109: trace = 2.412866277569273 (0.000682254% change) large trace change predicted (0.00140455%) linmin: converged after 4 iterations. iteration 110: trace = 2.412832877672352 (0.00138425% change) linmin: converged after 4 iterations. iteration 111: trace = 2.412826963363769 (0.000245119% change) linmin: converged after 6 iterations. iteration 112: trace = 2.412818882217 (0.000334925% change) linmin: converged after 4 iterations. iteration 113: trace = 2.412807741114174 (0.000461747% change) linmin: converged after 11 iterations. iteration 114: trace = 2.412803765774664 (0.00016476% change) linmin: converged after 7 iterations. iteration 115: trace = 2.412797334010174 (0.000266568% change) linmin: converged after 5 iterations. iteration 116: trace = 2.412796055157039 (5.30029e-05% change) large trace change predicted (0.000176584%) linmin: converged after 4 iterations. iteration 117: trace = 2.412791794264836 (0.000176596% change) linmin: converged after 20 iterations. iteration 118: trace = 2.412788959820339 (0.000117476% change) linmin: converged after 3 iterations. iteration 119: trace = 2.412787814829273 (4.74551e-05% change) large trace change predicted (0.000215307%) linmin: converged after 4 iterations. iteration 120: trace = 2.412782625139613 (0.000215091% change) linmin: converged after 8 iterations. iteration 121: trace = 2.412781615544021 (4.18436e-05% change) large trace change predicted (0.000159471%) linmin: converged after 8 iterations. iteration 122: trace = 2.412777772563147 (0.000159276% change) linmin: converged after 4 iterations. iteration 123: trace = 2.412776290475923 (6.14266e-05% change) linmin: converged after 4 iterations. iteration 124: trace = 2.412774825733703 (6.07078e-05% change) linmin: converged after 3 iterations. iteration 125: trace = 2.412773093628529 (7.1789e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.412772033403266 (4.39422e-05% change) large trace change predicted (0.000143911%) linmin: converged after 3 iterations. iteration 127: trace = 2.412768561234267 (0.000143908% change) linmin: converged after 3 iterations. iteration 128: trace = 2.412764332147253 (0.00017528% change) linmin: converged after 3 iterations. iteration 129: trace = 2.412762702402286 (6.75468e-05% change) large trace change predicted (0.000227105%) linmin: converged after 4 iterations. iteration 130: trace = 2.412757229053292 (0.00022685% change) linmin: converged after 3 iterations. iteration 131: trace = 2.412750308384217 (0.000286837% change) linmin: converged after 3 iterations. iteration 132: trace = 2.412744971597525 (0.000221191% change) large trace change predicted (0.000507211%) linmin: converged after 3 iterations. iteration 133: trace = 2.412732718407164 (0.000507854% change) linmin: converged after 7 iterations. iteration 134: trace = 2.412730962367456 (7.27822e-05% change) large trace change predicted (0.000324296%) linmin: converged after 3 iterations. iteration 135: trace = 2.412723129047391 (0.000324667% change) linmin: converged after 5 iterations. iteration 136: trace = 2.412721617793547 (6.26369e-05% change) linmin: converged after 3 iterations. iteration 137: trace = 2.412719162213405 (0.000101776% change) linmin: converged after 7 iterations. iteration 138: trace = 2.412714760983797 (0.000182418% change) linmin: converged after 4 iterations. iteration 139: trace = 2.412714244683772 (2.13991e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 2.412713795110151 (1.86335e-05% change) large trace change predicted (6.16566e-05%) linmin: converged after 3 iterations. iteration 141: trace = 2.412712306913474 (6.16815e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.412711752129087 (2.29942e-05% change) linmin: converged after 5 iterations. iteration 143: trace = 2.412711433445376 (1.32085e-05% change) large trace change predicted (3.65531e-05%) linmin: converged after 3 iterations. iteration 144: trace = 2.412710551332244 (3.65611e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.412710001332495 (2.27959e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.412709339104619 (2.74475e-05% change) linmin: converged after 7 iterations. iteration 147: trace = 2.412708015349657 (5.48659e-05% change) linmin: converged after 3 iterations. iteration 148: trace = 2.412707735069079 (1.16168e-05% change) large trace change predicted (2.46166e-05%) linmin: converged after 5 iterations. iteration 149: trace = 2.412707141025387 (2.46215e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.41270611433174 (4.25536e-05% change) linmin: converged after 3 iterations. iteration 151: trace = 2.41270579969158 (1.3041e-05% change) large trace change predicted (4.39304e-05%) linmin: converged after 4 iterations. iteration 152: trace = 2.412704738726644 (4.39741e-05% change) linmin: converged after 3 iterations. iteration 153: trace = 2.41270404498078 (2.87539e-05% change) linmin: converged after 4 iterations. iteration 154: trace = 2.412703578379837 (1.93393e-05% change) large trace change predicted (3.8684e-05%) linmin: converged after 3 iterations. iteration 155: trace = 2.41270264429435 (3.87153e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.41270138016885 (5.23946e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.412700869011127 (2.11861e-05% change) large trace change predicted (5.77342e-05%) linmin: converged after 4 iterations. iteration 158: trace = 2.412699474008117 (5.78192e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.412698218657573 (5.2031e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.412697424328969 (3.29228e-05% change) linmin: converged after 3 iterations. iteration 161: trace = 2.412696294218674 (4.68401e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.412695413377431 (3.65086e-05% change) linmin: converged after 20 iterations. iteration 163: trace = 2.41269430997101 (4.57334e-05% change) linmin: converged after 3 iterations. iteration 164: trace = 2.412693077402853 (5.10868e-05% change) linmin: converged after 3 iterations. iteration 165: trace = 2.41269287994695 (8.18405e-06% change) linmin: converged after 3 iterations. iteration 166: trace = 2.412692605808744 (1.13623e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.412692078182679 (2.18688e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.412691978234893 (4.14258e-06% change) large trace change predicted (1.25531e-05%) linmin: converged after 4 iterations. iteration 169: trace = 2.412691675191595 (1.25604e-05% change) linmin: converged after 5 iterations. iteration 170: trace = 2.412691532278725 (5.92338e-06% change) linmin: converged after 5 iterations. iteration 171: trace = 2.412691333718024 (8.22984e-06% change) linmin: converged after 3 iterations. iteration 172: trace = 2.412691071224445 (1.08797e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.412690867505331 (8.44365e-06% change) large trace change predicted (1.92698e-05%) linmin: converged after 3 iterations. iteration 174: trace = 2.412690402508315 (1.9273e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.412689494445571 (3.76369e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.412689267131884 (9.42159e-06% change) large trace change predicted (2.9348e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.412688558739286 (2.93611e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.412688132027417 (1.76862e-05% change) linmin: converged after 4 iterations. iteration 179: trace = 2.412687768142828 (1.50821e-05% change) large trace change predicted (6.13005e-05%) linmin: converged after 5 iterations. iteration 180: trace = 2.412686288078712 (6.13451e-05% change) linmin: converged after 4 iterations. iteration 181: trace = 2.412685924160847 (1.50835e-05% change) large trace change predicted (4.49615e-05%) linmin: converged after 3 iterations. iteration 182: trace = 2.412684838840223 (4.49839e-05% change) linmin: converged after 3 iterations. iteration 183: trace = 2.412683964333555 (3.62462e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.412683634762118 (1.366e-05% change) large trace change predicted (2.85959e-05%) linmin: converged after 3 iterations. iteration 185: trace = 2.412682944177038 (2.86231e-05% change) linmin: converged after 21 iterations. iteration 186: trace = 2.412682252171017 (2.8682e-05% change) linmin: converged after 5 iterations. iteration 187: trace = 2.412682009678486 (1.00507e-05% change) large trace change predicted (2.73274e-05%) linmin: converged after 4 iterations. iteration 188: trace = 2.412681350332888 (2.73283e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.412681262096474 (3.65719e-06% change) linmin: converged after 3 iterations. iteration 190: trace = 2.412681134826438 (5.27505e-06% change) large trace change predicted (1.11392e-05%) linmin: converged after 5 iterations. iteration 191: trace = 2.412680866043328 (1.11404e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.4126808264136 (1.64256e-06% change) large trace change predicted (1.20563e-05%) linmin: converged after 7 iterations. iteration 193: trace = 2.41268053555182 (1.20555e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.412680402474456 (5.51575e-06% change) linmin: converged after 3 iterations. iteration 195: trace = 2.412680287998102 (4.74478e-06% change) large trace change predicted (1.8074e-05%) linmin: converged after 4 iterations. iteration 196: trace = 2.412679852029748 (1.80699e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.412679516370597 (1.39123e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.412679155864843 (1.49421e-05% change) large trace change predicted (6.2203e-05%) linmin: converged after 4 iterations. iteration 199: trace = 2.412677654625708 (6.22229e-05% change) linmin: converged after 5 iterations. iteration 200: trace = 2.412677374183402 (1.16237e-05% change) large trace change predicted (5.1361e-05%) linmin: converged after 5 iterations. iteration 201: trace = 2.412676134604486 (5.13777e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.412675245015786 (3.68715e-05% change) linmin: converged after 3 iterations. iteration 203: trace = 2.412674862142604 (1.58692e-05% change) large trace change predicted (5.06774e-05%) linmin: converged after 4 iterations. iteration 204: trace = 2.41267363934473 (5.06823e-05% change) linmin: converged after 3 iterations. iteration 205: trace = 2.412673242942164 (1.643e-05% change) linmin: converged after 5 iterations. iteration 206: trace = 2.412672626171718 (2.55638e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.412672131228316 (2.05143e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.412671827786987 (1.2577e-05% change) large trace change predicted (3.40714e-05%) linmin: converged after 4 iterations. iteration 209: trace = 2.412671005801497 (3.40695e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.412670641830589 (1.50858e-05% change) linmin: converged after 5 iterations. iteration 211: trace = 2.412670529000208 (4.67658e-06% change) large trace change predicted (1.04561e-05%) linmin: converged after 4 iterations. iteration 212: trace = 2.412670276853772 (1.04509e-05% change) linmin: converged after 5 iterations. iteration 213: trace = 2.41267005892408 (9.03272e-06% change) linmin: converged after 4 iterations. iteration 214: trace = 2.412669942685584 (4.81784e-06% change) large trace change predicted (1.67786e-05%) linmin: converged after 3 iterations. iteration 215: trace = 2.412669537939716 (1.67759e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.41266945347015 (3.50108e-06% change) large trace change predicted (9.85233e-06%) linmin: converged after 4 iterations. iteration 217: trace = 2.412669215731066 (9.85378e-06% change) linmin: converged after 3 iterations. iteration 218: trace = 2.412668921994908 (1.21747e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.41266883811821 (3.47651e-06% change) large trace change predicted (1.30474e-05%) linmin: converged after 4 iterations. iteration 220: trace = 2.412668523337981 (1.3047e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.412668223683091 (1.24201e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.412668113445152 (4.56913e-06% change) large trace change predicted (9.19443e-06%) linmin: converged after 3 iterations. iteration 223: trace = 2.412667891553012 (9.19696e-06% change) linmin: converged after 5 iterations. iteration 224: trace = 2.412667580826945 (1.28789e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.412667426254225 (6.40671e-06% change) large trace change predicted (1.78686e-05%) linmin: converged after 3 iterations. iteration 226: trace = 2.412666995135434 (1.7869e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.412666802715315 (7.97541e-06% change) linmin: converged after 3 iterations. iteration 228: trace = 2.412666435404577 (1.52243e-05% change) linmin: converged after 4 iterations. iteration 229: trace = 2.412666130700489 (1.26294e-05% change) linmin: converged after 4 iterations. iteration 230: trace = 2.412665877110246 (1.05108e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.412665382099508 (2.05172e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.412664783984475 (2.47906e-05% change) linmin: converged after 14 iterations. iteration 233: trace = 2.412664682683589 (4.19871e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.412664481852494 (8.32404e-06% change) linmin: converged after 8 iterations. iteration 235: trace = 2.412664315383743 (6.89979e-06% change) linmin: converged after 2 iterations. iteration 236: trace = 2.412664250177639 (2.70266e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.412664169659182 (3.33733e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.412664021244686 (6.15148e-06% change) linmin: converged after 3 iterations. iteration 239: trace = 2.412664001473559 (8.19473e-07% change) large trace change predicted (4.28054e-06%) linmin: converged after 28 iterations. iteration 240: trace = 2.412663898202072 (4.28039e-06% change) linmin: converged after 3 iterations. iteration 241: trace = 2.412663783452443 (4.75614e-06% change) linmin: converged after 3 iterations. iteration 242: trace = 2.412663731581536 (2.14994e-06% change) large trace change predicted (1.03009e-05%) linmin: converged after 5 iterations. iteration 243: trace = 2.412663483257846 (1.02925e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.412663197127385 (1.18595e-05% change) linmin: converged after 5 iterations. iteration 245: trace = 2.412662979195149 (9.03285e-06% change) linmin: converged after 5 iterations. iteration 246: trace = 2.412662720448691 (1.07245e-05% change) linmin: converged after 11 iterations. iteration 247: trace = 2.412662475665402 (1.01458e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.412662231499839 (1.01202e-05% change) linmin: converged after 8 iterations. iteration 249: trace = 2.412661778846366 (1.87616e-05% change) linmin: converged after 4 iterations. iteration 250: trace = 2.412661646529992 (5.48425e-06% change) large trace change predicted (2.29079e-05%) linmin: converged after 6 iterations. iteration 251: trace = 2.412661094551263 (2.28784e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.41266045540582 (2.64913e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.412660330834369 (5.16324e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.412660088017616 (1.00643e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.412659753374383 (1.38703e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.412659689278247 (2.65666e-06% change) large trace change predicted (1.06085e-05%) linmin: converged after 5 iterations. iteration 257: trace = 2.412659433394985 (1.06059e-05% change) linmin: converged after 3 iterations. iteration 258: trace = 2.41265939819889 (1.45881e-06% change) large trace change predicted (3.25859e-06%) linmin: converged after 2 iterations. iteration 259: trace = 2.412659319569637 (3.25903e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.412659193138797 (5.24031e-06% change) linmin: converged after 4 iterations. iteration 261: trace = 2.412659148262438 (1.86004e-06% change) large trace change predicted (4.57325e-06%) linmin: converged after 3 iterations. iteration 262: trace = 2.412659037928812 (4.57311e-06% change) large trace change predicted (9.99942e-06%) linmin: converged after 3 iterations. iteration 263: trace = 2.412658796722827 (9.99752e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.412658738736654 (2.40341e-06% change) large trace change predicted (8.07785e-06%) linmin: converged after 2 iterations. iteration 265: trace = 2.412658543839925 (8.07809e-06% change) large trace change predicted (1.85307e-05%) linmin: converged after 3 iterations. iteration 266: trace = 2.412658096780619 (1.85297e-05% change) linmin: converged after 18 iterations. iteration 267: trace = 2.412658002593856 (3.90386e-06% change) large trace change predicted (3.77283e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.412657092188933 (3.77345e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.412656429543355 (2.74654e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.41265589801858 (2.20307e-05% change) linmin: converged after 3 iterations. iteration 271: trace = 2.412655358921608 (2.23445e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.412655030040948 (1.36315e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.412654517206331 (2.1256e-05% change) linmin: converged after 4 iterations. iteration 274: trace = 2.412654104258636 (1.71159e-05% change) linmin: converged after 2 iterations. iteration 275: trace = 2.412654008311804 (3.97682e-06% change) large trace change predicted (1.39559e-05%) linmin: converged after 4 iterations. iteration 276: trace = 2.412653671573064 (1.39572e-05% change) linmin: converged after 9 iterations. iteration 277: trace = 2.412653422875603 (1.0308e-05% change) linmin: converged after 16 iterations. iteration 278: trace = 2.41265322595961 (8.1618e-06% change) large trace change predicted (2.00162e-05%) linmin: converged after 3 iterations. iteration 279: trace = 2.412652742693363 (2.00305e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.412652499213283 (1.00918e-05% change) linmin: converged after 3 iterations. iteration 281: trace = 2.412652382534406 (4.83612e-06% change) linmin: converged after 3 iterations. iteration 282: trace = 2.41265228025235 (4.2394e-06% change) linmin: converged after 5 iterations. iteration 283: trace = 2.412652203955211 (3.16238e-06% change) linmin: converged after 5 iterations. iteration 284: trace = 2.412652078604591 (5.19555e-06% change) linmin: converged after 3 iterations. iteration 285: trace = 2.412651897560381 (7.50395e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.412651836057836 (2.54917e-06% change) large trace change predicted (1.09091e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.412651572821896 (1.09106e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.412651365715245 (8.58419e-06% change) linmin: converged after 4 iterations. iteration 289: trace = 2.412651274368442 (3.78616e-06% change) large trace change predicted (2.32161e-05%) linmin: converged after 5 iterations. iteration 290: trace = 2.412650714164187 (2.32194e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.412650197980265 (2.13949e-05% change) linmin: converged after 14 iterations. iteration 292: trace = 2.412650023901272 (7.21526e-06% change) large trace change predicted (1.46825e-05%) linmin: converged after 7 iterations. iteration 293: trace = 2.412649669633992 (1.46837e-05% change) linmin: converged after 5 iterations. iteration 294: trace = 2.412649191611654 (1.98132e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.412649120212764 (2.95936e-06% change) large trace change predicted (1.45801e-05%) linmin: converged after 3 iterations. iteration 296: trace = 2.412648768393653 (1.45823e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.412648662526927 (4.38799e-06% change) linmin: converged after 4 iterations. iteration 298: trace = 2.412648519403908 (5.93219e-06% change) linmin: converged after 3 iterations. iteration 299: trace = 2.412648349644698 (7.03622e-06% change) linmin: converged after 3 iterations. iteration 300: trace = 2.412648232842123 (4.84126e-06% change) linmin: converged after 4 iterations. iteration 301: trace = 2.41264816261973 (2.91059e-06% change) large trace change predicted (8.08228e-06%) linmin: converged after 4 iterations. iteration 302: trace = 2.412647967602745 (8.08311e-06% change) linmin: converged after 5 iterations. iteration 303: trace = 2.412647942028923 (1.05999e-06% change) large trace change predicted (6.21236e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.412647792118586 (6.21352e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.412647732544191 (2.46925e-06% change) linmin: converged after 4 iterations. iteration 306: trace = 2.412647708180303 (1.00984e-06% change) large trace change predicted (5.58163e-06%) linmin: converged after 4 iterations. iteration 307: trace = 2.412647573474179 (5.58333e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.412647489905336 (3.46378e-06% change) linmin: converged after 3 iterations. iteration 309: trace = 2.412647457561911 (1.34058e-06% change) linmin: converged after 3 iterations. iteration 310: trace = 2.412647397836772 (2.4755e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.412647312244798 (3.54764e-06% change) linmin: converged after 4 iterations. iteration 312: trace = 2.412647275682161 (1.51546e-06% change) large trace change predicted (7.70898e-06%) linmin: converged after 4 iterations. iteration 313: trace = 2.412647089582336 (7.71351e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.412646991303354 (4.07349e-06% change) large trace change predicted (1.2663e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.412646685458969 (1.26767e-05% change) linmin: converged after 4 iterations. iteration 316: trace = 2.412646421520225 (1.09398e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.412646177249891 (1.01246e-05% change) linmin: converged after 4 iterations. iteration 318: trace = 2.412646105544004 (2.97208e-06% change) large trace change predicted (1.07857e-05%) linmin: converged after 3 iterations. iteration 319: trace = 2.412645845148307 (1.0793e-05% change) linmin: converged after 3 iterations. iteration 320: trace = 2.412645805511652 (1.64287e-06% change) large trace change predicted (6.90953e-06%) linmin: converged after 3 iterations. iteration 321: trace = 2.412645638760237 (6.91156e-06% change) linmin: converged after 4 iterations. iteration 322: trace = 2.412645543881315 (3.93257e-06% change) linmin: converged after 4 iterations. iteration 323: trace = 2.412645505425639 (1.59392e-06% change) linmin: converged after 5 iterations. iteration 324: trace = 2.412645439333454 (2.73941e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.412645350612028 (3.67735e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.412645332911752 (7.33646e-07% change) large trace change predicted (4.13889e-06%) linmin: converged after 3 iterations. iteration 327: trace = 2.412645233040211 (4.1395e-06% change) linmin: converged after 14 iterations. iteration 328: trace = 2.412645203184484 (1.23747e-06% change) linmin: converged after 3 iterations. iteration 329: trace = 2.412645181289248 (9.0752e-07% change) large trace change predicted (2.92479e-06%) linmin: converged after 4 iterations. iteration 330: trace = 2.412645110725745 (2.92474e-06% change) linmin: converged after 2 iterations. iteration 331: trace = 2.412645079210439 (1.30626e-06% change) linmin: converged after 4 iterations. iteration 332: trace = 2.412645016555152 (2.59695e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.412644934169797 (3.41473e-06% change) linmin: converged after 4 iterations. iteration 334: trace = 2.412644856765547 (3.20827e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.412644734871159 (5.05231e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.412644539766192 (8.08677e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.412644430541675 (4.52717e-06% change) large trace change predicted (1.24159e-05%) linmin: converged after 4 iterations. iteration 338: trace = 2.412644131023137 (1.24145e-05% change) linmin: converged after 5 iterations. iteration 339: trace = 2.412643882971502 (1.02813e-05% change) linmin: converged after 4 iterations. iteration 340: trace = 2.412643726380697 (6.49042e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.412643540563209 (7.70182e-06% change) linmin: converged after 5 iterations. iteration 342: trace = 2.412643423179353 (4.86536e-06% change) linmin: converged after 4 iterations. iteration 343: trace = 2.412643334084952 (3.69281e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.412643171690913 (6.73096e-06% change) linmin: converged after 4 iterations. iteration 345: trace = 2.412643149287357 (9.2859e-07% change) large trace change predicted (2.85708e-06%) linmin: converged after 3 iterations. iteration 346: trace = 2.412643080367303 (2.85662e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.41264302505136 (2.29275e-06% change) linmin: converged after 3 iterations. iteration 348: trace = 2.412643004927425 (8.34103e-07% change) large trace change predicted (3.61792e-06%) linmin: converged after 3 iterations. iteration 349: trace = 2.412642917646239 (3.61766e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.412642859445579 (2.41232e-06% change) linmin: converged after 23 iterations. iteration 351: trace = 2.412642844813104 (6.06492e-07% change) large trace change predicted (1.70473e-06%) linmin: converged after 3 iterations. iteration 352: trace = 2.412642803688283 (1.70455e-06% change) linmin: converged after 6 iterations. iteration 353: trace = 2.412642759301845 (1.83974e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.412642744248763 (6.23925e-07% change) large trace change predicted (4.72137e-06%) linmin: converged after 4 iterations. iteration 355: trace = 2.412642630332591 (4.72163e-06% change) linmin: converged after 3 iterations. iteration 356: trace = 2.412642589756975 (1.68179e-06% change) large trace change predicted (5.04259e-06%) linmin: converged after 3 iterations. iteration 357: trace = 2.412642468081529 (5.04324e-06% change) linmin: converged after 4 iterations. iteration 358: trace = 2.412642375922279 (3.81985e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.412642328216889 (1.97731e-06% change) large trace change predicted (9.25169e-06%) linmin: converged after 3 iterations. iteration 360: trace = 2.41264210501252 (9.25145e-06% change) linmin: converged after 25 iterations. iteration 361: trace = 2.41264190884885 (8.13066e-06% change) linmin: converged after 5 iterations. iteration 362: trace = 2.41264181472791 (3.90116e-06% change) linmin: converged after 3 iterations. iteration 363: trace = 2.412641643121817 (7.11279e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.412641531498043 (4.62662e-06% change) linmin: converged after 2 iterations. iteration 365: trace = 2.412641483554933 (1.98716e-06% change) large trace change predicted (4.8557e-06%) linmin: converged after 3 iterations. iteration 366: trace = 2.412641366411219 (4.85541e-06% change) linmin: converged after 23 iterations. iteration 367: trace = 2.412641317770237 (2.01609e-06% change) linmin: converged after 3 iterations. iteration 368: trace = 2.41264129264454 (1.04142e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.412641255843273 (1.52535e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.412641206702936 (2.03679e-06% change) linmin: converged after 5 iterations. iteration 371: trace = 2.412641193433993 (5.49976e-07% change) large trace change predicted (2.88416e-06%) linmin: converged after 12 iterations. iteration 372: trace = 2.412641123854957 (2.88394e-06% change) linmin: converged after 6 iterations. iteration 373: trace = 2.412641111673959 (5.04882e-07% change) large trace change predicted (2.18833e-06%) linmin: converged after 3 iterations. iteration 374: trace = 2.412641058883741 (2.18807e-06% change) linmin: converged after 2 iterations. iteration 375: trace = 2.412641021181182 (1.56271e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.412641007196029 (5.79662e-07% change) large trace change predicted (2.3571e-06%) linmin: converged after 3 iterations. iteration 377: trace = 2.412640950335902 (2.35676e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.412640872040208 (3.24523e-06% change) linmin: converged after 9 iterations. iteration 379: trace = 2.412640857046176 (6.21478e-07% change) large trace change predicted (4.68049e-06%) linmin: converged after 4 iterations. iteration 380: trace = 2.412640744163901 (4.67878e-06% change) linmin: converged after 4 iterations. iteration 381: trace = 2.412640680759552 (2.62801e-06% change) linmin: converged after 5 iterations. iteration 382: trace = 2.412640631533238 (2.04035e-06% change) large trace change predicted (1.0186e-05%) linmin: converged after 4 iterations. iteration 383: trace = 2.412640386046092 (1.0175e-05% change) linmin: converged after 4 iterations. iteration 384: trace = 2.41264017655295 (8.68315e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.412640111861084 (2.68137e-06% change) linmin: converged after 3 iterations. iteration 386: trace = 2.412640001020523 (4.59416e-06% change) linmin: converged after 4 iterations. iteration 387: trace = 2.412639906186659 (3.93071e-06% change) linmin: converged after 8 iterations. iteration 388: trace = 2.412639875163693 (1.28585e-06% change) large trace change predicted (3.61999e-06%) linmin: converged after 4 iterations. iteration 389: trace = 2.412639787843438 (3.61928e-06% change) linmin: converged after 4 iterations. iteration 390: trace = 2.412639730956203 (2.35788e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.412639697743978 (1.37659e-06% change) large trace change predicted (2.82443e-06%) linmin: converged after 3 iterations. iteration 392: trace = 2.412639629618678 (2.82368e-06% change) linmin: converged after 4 iterations. iteration 393: trace = 2.412639614807787 (6.13887e-07% change) large trace change predicted (1.80279e-06%) linmin: converged after 4 iterations. iteration 394: trace = 2.412639571322255 (1.8024e-06% change) linmin: converged after 4 iterations. iteration 395: trace = 2.412639520785221 (2.09468e-06% change) linmin: converged after 4 iterations. iteration 396: trace = 2.412639509208852 (4.79822e-07% change) large trace change predicted (3.38565e-06%) linmin: converged after 8 iterations. iteration 397: trace = 2.412639427535376 (3.38523e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.412639395629452 (1.32245e-06% change) linmin: converged after 11 iterations. iteration 399: trace = 2.412639348248921 (1.96385e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.412639294455711 (2.22964e-06% change) linmin: converged after 2 iterations. iteration 401: trace = 2.412639258035655 (1.50955e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.412639190554862 (2.79697e-06% change) linmin: converged after 20 iterations. iteration 403: trace = 2.41263905959015 (5.42828e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.412639025377223 (1.41807e-06% change) large trace change predicted (8.1116e-06%) linmin: converged after 3 iterations. iteration 405: trace = 2.412638829658797 (8.11221e-06% change) linmin: converged after 9 iterations. iteration 406: trace = 2.412638654950277 (7.24139e-06% change) linmin: converged after 3 iterations. iteration 407: trace = 2.412638598791363 (2.3277e-06% change) large trace change predicted (1.43761e-05%) linmin: converged after 5 iterations. iteration 408: trace = 2.412638251955339 (1.43758e-05% change) linmin: converged after 5 iterations. iteration 409: trace = 2.41263806804024 (7.62299e-06% change) linmin: converged after 4 iterations. iteration 410: trace = 2.412637954368074 (4.71153e-06% change) linmin: converged after 2 iterations. iteration 411: trace = 2.4126378702081 (3.4883e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.412637808358002 (2.56359e-06% change) linmin: converged after 11 iterations. iteration 413: trace = 2.412637747018324 (2.54243e-06% change) linmin: converged after 2 iterations. iteration 414: trace = 2.412637670086128 (3.18872e-06% change) linmin: converged after 2 iterations. iteration 415: trace = 2.41263763000963 (1.66111e-06% change) linmin: converged after 2 iterations. iteration 416: trace = 2.412637610893117 (7.92349e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 23 iterations. iteration 417: trace = 2.412637569153494 (1.73004e-06% change) linmin: converged after 4 iterations. iteration 418: trace = 2.412637520374493 (2.02181e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.412637490056796 (1.25662e-06% change) resetting CG direction... linmin: converged after 37 iterations. iteration 420: trace = 2.412637461836419 (1.16969e-06% change) linmin: converged after 26 iterations. iteration 421: trace = 2.412637422063909 (1.64851e-06% change) linmin: converged after 10 iterations. iteration 422: trace = 2.412637385152995 (1.5299e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.412637370796596 (5.9505e-07% change) large trace change predicted (1.80367e-06%) linmin: converged after 2 iterations. iteration 424: trace = 2.412637327279852 (1.8037e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.412637258979955 (2.83092e-06% change) linmin: converged after 4 iterations. iteration 426: trace = 2.412637239659023 (8.00822e-07% change) large trace change predicted (3.59485e-06%) linmin: converged after 7 iterations. iteration 427: trace = 2.412637152925136 (3.59498e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.412637091234963 (2.55696e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.412637052961576 (1.58637e-06% change) large trace change predicted (8.00613e-06%) linmin: converged after 3 iterations. iteration 430: trace = 2.412636859775859 (8.00724e-06% change) linmin: converged after 3 iterations. iteration 431: trace = 2.412636737527146 (5.06702e-06% change) linmin: converged after 5 iterations. iteration 432: trace = 2.412636571570054 (6.87866e-06% change) linmin: converged after 3 iterations. iteration 433: trace = 2.412636453794437 (4.88161e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.41263637227653 (3.37879e-06% change) linmin: converged after 4 iterations. iteration 435: trace = 2.412636272347467 (4.1419e-06% change) linmin: converged after 3 iterations. iteration 436: trace = 2.412636181631174 (3.76005e-06% change) linmin: converged after 3 iterations. iteration 437: trace = 2.412636132225534 (2.04779e-06% change) linmin: converged after 5 iterations. iteration 438: trace = 2.412636113738276 (7.66268e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.412636076883901 (1.52756e-06% change) linmin: converged after 21 iterations. iteration 440: trace = 2.412636046674913 (1.25212e-06% change) linmin: converged after 25 iterations. iteration 441: trace = 2.412636033138629 (5.61058e-07% change) large trace change predicted (2.01909e-06%) linmin: converged after 3 iterations. iteration 442: trace = 2.412635984420391 (2.01929e-06% change) linmin: converged after 6 iterations. iteration 443: trace = 2.412635978767852 (2.34289e-07% change) large trace change predicted (1.72274e-06%) linmin: converged after 3 iterations. iteration 444: trace = 2.412635937196194 (1.72308e-06% change) linmin: converged after 3 iterations. iteration 445: trace = 2.41263591745279 (8.18333e-07% change) linmin: converged after 13 iterations. iteration 446: trace = 2.412635907137475 (4.27554e-07% change) large trace change predicted (1.84736e-06%) linmin: converged after 4 iterations. iteration 447: trace = 2.412635862549712 (1.84809e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.412635846399404 (6.69405e-07% change) large trace change predicted (1.37742e-06%) linmin: converged after 6 iterations. iteration 449: trace = 2.412635813159552 (1.37774e-06% change) linmin: converged after 5 iterations. iteration 450: trace = 2.412635770365978 (1.77373e-06% change) linmin: converged after 2 iterations. iteration 451: trace = 2.412635750730444 (8.13862e-07% change) large trace change predicted (1.79047e-06%) linmin: converged after 5 iterations. iteration 452: trace = 2.412635707525042 (1.7908e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.412635632280543 (3.11877e-06% change) linmin: converged after 2 iterations. iteration 454: trace = 2.412635606637174 (1.06288e-06% change) large trace change predicted (4.82637e-06%) linmin: converged after 3 iterations. iteration 455: trace = 2.41263549011407 (4.8297e-06% change) linmin: converged after 3 iterations. iteration 456: trace = 2.412635412984554 (3.1969e-06% change) linmin: converged after 5 iterations. iteration 457: trace = 2.412635330996352 (3.39828e-06% change) linmin: converged after 3 iterations. iteration 458: trace = 2.412635285448702 (1.88788e-06% change) linmin: converged after 4 iterations. iteration 459: trace = 2.412635209854777 (3.13325e-06% change) linmin: converged after 2 iterations. iteration 460: trace = 2.412635200585132 (3.84212e-07% change) large trace change predicted (1.50984e-06%) linmin: converged after 3 iterations. iteration 461: trace = 2.412635164153197 (1.51005e-06% change) linmin: converged after 4 iterations. iteration 462: trace = 2.41263513479678 (1.21678e-06% change) linmin: converged after 2 iterations. iteration 463: trace = 2.412635126557433 (3.41508e-07% change) large trace change predicted (7.16386e-07%) linmin: converged after 2 iterations. iteration 464: trace = 2.412635109273548 (7.1639e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.41263508246062 (1.11135e-06% change) linmin: converged after 2 iterations. iteration 466: trace = 2.412635075327449 (2.95659e-07% change) large trace change predicted (1.43069e-06%) linmin: converged after 3 iterations. iteration 467: trace = 2.412635040809578 (1.43071e-06% change) linmin: converged after 19 iterations. iteration 468: trace = 2.412635035295058 (2.28568e-07% change) large trace change predicted (6.50671e-07%) linmin: converged after 3 iterations. iteration 469: trace = 2.412635019596424 (6.50684e-07% change) linmin: converged after 3 iterations. iteration 470: trace = 2.412634992251697 (1.1334e-06% change) linmin: converged after 3 iterations. iteration 471: trace = 2.412634986950811 (2.19714e-07% change) large trace change predicted (1.39549e-06%) linmin: converged after 3 iterations. iteration 472: trace = 2.412634953285932 (1.39536e-06% change) linmin: converged after 6 iterations. iteration 473: trace = 2.412634914603901 (1.60331e-06% change) linmin: converged after 5 iterations. iteration 474: trace = 2.41263489795668 (6.90002e-07% change) large trace change predicted (2.33508e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.412634841612952 (2.33536e-06% change) linmin: converged after 5 iterations. iteration 476: trace = 2.412634784959861 (2.34818e-06% change) linmin: converged after 2 iterations. iteration 477: trace = 2.412634757823982 (1.12474e-06% change) large trace change predicted (4.58615e-06%) linmin: converged after 4 iterations. iteration 478: trace = 2.412634647181987 (4.58594e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.41263460232079 (1.85943e-06% change) linmin: converged after 5 iterations. iteration 480: trace = 2.41263452617724 (3.15603e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.412634473371547 (2.18871e-06% change) linmin: converged after 19 iterations. iteration 482: trace = 2.412634433120973 (1.66832e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.412634419686824 (5.56825e-07% change) large trace change predicted (1.73249e-06%) linmin: converged after 3 iterations. iteration 484: trace = 2.412634377890523 (1.73239e-06% change) linmin: converged after 5 iterations. iteration 485: trace = 2.412634372053955 (2.41917e-07% change) large trace change predicted (8.30937e-07%) linmin: converged after 16 iterations. iteration 486: trace = 2.412634352006608 (8.30932e-07% change) linmin: converged after 4 iterations. iteration 487: trace = 2.412634338410168 (5.63552e-07% change) linmin: converged after 33 iterations. iteration 488: trace = 2.412634332981738 (2.25e-07% change) large trace change predicted (7.47497e-07%) linmin: converged after 2 iterations. iteration 489: trace = 2.412634314947199 (7.47504e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.412634300150948 (6.13282e-07% change) linmin: converged after 6 iterations. iteration 491: trace = 2.412634295241867 (2.03474e-07% change) large trace change predicted (5.46002e-07%) linmin: converged after 4 iterations. iteration 492: trace = 2.412634282068757 (5.46005e-07% change) linmin: converged after 4 iterations. iteration 493: trace = 2.412634265485243 (6.87361e-07% change) linmin: converged after 3 iterations. iteration 494: trace = 2.412634260110126 (2.2279e-07% change) large trace change predicted (1.6288e-06%) linmin: converged after 2 iterations. iteration 495: trace = 2.412634220812826 (1.62881e-06% change) linmin: converged after 23 iterations. iteration 496: trace = 2.41263421181123 (3.73102e-07% change) large trace change predicted (9.92174e-07%) linmin: converged after 19 iterations. iteration 497: trace = 2.412634187873508 (9.92182e-07% change) large trace change predicted (2.26742e-06%) linmin: converged after 4 iterations. iteration 498: trace = 2.412634133169127 (2.26741e-06% change) linmin: converged after 3 iterations. iteration 499: trace = 2.412634119882701 (5.50702e-07% change) large trace change predicted (3.23838e-06%) linmin: converged after 5 iterations. iteration 500: trace = 2.412634041749078 (3.23852e-06% change) linmin: converged after 3 iterations. iteration 501: trace = 2.412633963062304 (3.26145e-06% change) linmin: converged after 3 iterations. iteration 502: trace = 2.412633939997421 (9.56004e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.41263389600519 (1.82341e-06% change) linmin: converged after 5 iterations. iteration 504: trace = 2.412633851756059 (1.83406e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.412633836871628 (6.16937e-07% change) large trace change predicted (1.52743e-06%) linmin: converged after 3 iterations. iteration 506: trace = 2.41263380001807 (1.52752e-06% change) linmin: converged after 19 iterations. iteration 507: trace = 2.412633779144836 (8.65164e-07% change) linmin: converged after 3 iterations. iteration 508: trace = 2.412633772650124 (2.69196e-07% change) linmin: converged after 3 iterations. iteration 509: trace = 2.41263376084543 (4.89287e-07% change) linmin: converged after 3 iterations. iteration 510: trace = 2.412633742575502 (7.57261e-07% change) linmin: converged after 3 iterations. iteration 511: trace = 2.412633738690095 (1.61044e-07% change) large trace change predicted (9.53845e-07%) linmin: converged after 8 iterations. iteration 512: trace = 2.412633715678568 (9.53793e-07% change) linmin: converged after 13 iterations. iteration 513: trace = 2.412633712018798 (1.51692e-07% change) large trace change predicted (7.4822e-07%) linmin: converged after 4 iterations. iteration 514: trace = 2.412633693968217 (7.48169e-07% change) linmin: converged after 2 iterations. iteration 515: trace = 2.412633677830488 (6.68884e-07% change) linmin: converged after 7 iterations. iteration 516: trace = 2.412633673498156 (1.79569e-07% change) large trace change predicted (9.78752e-07%) linmin: converged after 3 iterations. iteration 517: trace = 2.412633649886695 (9.78659e-07% change) linmin: converged after 4 iterations. iteration 518: trace = 2.412633624126148 (1.06774e-06% change) linmin: converged after 2 iterations. iteration 519: trace = 2.41263361841423 (2.3675e-07% change) large trace change predicted (1.47906e-06%) linmin: converged after 3 iterations. iteration 520: trace = 2.412633582735239 (1.47884e-06% change) linmin: converged after 7 iterations. iteration 521: trace = 2.412633546948009 (1.48333e-06% change) linmin: converged after 4 iterations. iteration 522: trace = 2.41263348544075 (2.54938e-06% change) linmin: converged after 12 iterations. iteration 523: trace = 2.412633439590564 (1.90042e-06% change) linmin: converged after 5 iterations. iteration 524: trace = 2.412633370423544 (2.86687e-06% change) linmin: converged after 3 iterations. iteration 525: trace = 2.412633347840773 (9.36022e-07% change) linmin: converged after 3 iterations. iteration 526: trace = 2.412633307955387 (1.65319e-06% change) linmin: converged after 3 iterations. iteration 527: trace = 2.412633273147848 (1.44272e-06% change) linmin: converged after 29 iterations. iteration 528: trace = 2.412633262489179 (4.41786e-07% change) large trace change predicted (1.30939e-06%) linmin: converged after 3 iterations. iteration 529: trace = 2.412633230905143 (1.30911e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.412633206840749 (9.97433e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.412633200936574 (2.44719e-07% change) large trace change predicted (1.05694e-06%) linmin: converged after 3 iterations. iteration 532: trace = 2.412633175442258 (1.0567e-06% change) linmin: converged after 10 iterations. iteration 533: trace = 2.412633168222967 (2.99229e-07% change) linmin: converged after 3 iterations. iteration 534: trace = 2.412633158476981 (4.03956e-07% change) large trace change predicted (9.6653e-07%) linmin: converged after 4 iterations. iteration 535: trace = 2.412633135161465 (9.66393e-07% change) linmin: converged after 4 iterations. iteration 536: trace = 2.41263312653655 (3.5749e-07% change) large trace change predicted (7.73713e-07%) linmin: converged after 4 iterations. iteration 537: trace = 2.412633107870155 (7.73694e-07% change) linmin: converged after 4 iterations. iteration 538: trace = 2.412633097143944 (4.44585e-07% change) linmin: converged after 4 iterations. iteration 539: trace = 2.412633087428071 (4.02708e-07% change) large trace change predicted (9.79657e-07%) linmin: converged after 6 iterations. iteration 540: trace = 2.412633063790916 (9.79724e-07% change) linmin: converged after 3 iterations. iteration 541: trace = 2.412633039678841 (9.99409e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.41263302600683 (5.66684e-07% change) large trace change predicted (1.72997e-06%) linmin: converged after 3 iterations. iteration 543: trace = 2.412632984268974 (1.72997e-06% change) linmin: converged after 9 iterations. iteration 544: trace = 2.412632956748031 (1.1407e-06% change) linmin: converged after 16 iterations. iteration 545: trace = 2.4126329182803 (1.59443e-06% change) linmin: converged after 3 iterations. iteration 546: trace = 2.412632854540752 (2.64191e-06% change) linmin: converged after 2 iterations. iteration 547: trace = 2.412632806870938 (1.97584e-06% change) large trace change predicted (3.95876e-06%) linmin: converged after 3 iterations. iteration 548: trace = 2.4126327113534 (3.95906e-06% change) linmin: converged after 3 iterations. iteration 549: trace = 2.412632631852261 (3.2952e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.412632613196227 (7.73265e-07% change) linmin: converged after 2 iterations. iteration 551: trace = 2.412632585585498 (1.14442e-06% change) linmin: converged after 3 iterations. iteration 552: trace = 2.412632559925147 (1.06358e-06% change) linmin: converged after 5 iterations. iteration 553: trace = 2.412632549432359 (4.3491e-07% change) large trace change predicted (1.0846e-06%) linmin: converged after 2 iterations. iteration 554: trace = 2.412632523264577 (1.08462e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.412632509436549 (5.73151e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.412632503266173 (2.55753e-07% change) large trace change predicted (5.80132e-07%) linmin: converged after 3 iterations. iteration 557: trace = 2.412632489269159 (5.80155e-07% change) linmin: converged after 3 iterations. iteration 558: trace = 2.412632477608584 (4.83313e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.412632465379013 (5.06897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.41263245369378 (4.84335e-07% change) linmin: converged after 30 iterations. iteration 561: trace = 2.41263244335804 (4.28401e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.412632430232763 (5.44023e-07% change) linmin: converged after 3 iterations. iteration 563: trace = 2.412632423731303 (2.69476e-07% change) linmin: converged after 3 iterations. iteration 564: trace = 2.412632410743588 (5.38321e-07% change) linmin: converged after 2 iterations. iteration 565: trace = 2.41263238748334 (9.64102e-07% change) linmin: converged after 6 iterations. iteration 566: trace = 2.412632377969501 (3.94334e-07% change) large trace change predicted (8.43205e-07%) linmin: converged after 8 iterations. iteration 567: trace = 2.412632357625399 (8.43233e-07% change) linmin: converged after 4 iterations. iteration 568: trace = 2.412632330923643 (1.10675e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.412632316919374 (5.80456e-07% change) large trace change predicted (2.65367e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.412632252898448 (2.65357e-06% change) linmin: converged after 2 iterations. iteration 571: trace = 2.412632189217207 (2.63949e-06% change) linmin: converged after 4 iterations. iteration 572: trace = 2.412632144336174 (1.86025e-06% change) linmin: converged after 4 iterations. iteration 573: trace = 2.412632097787958 (1.92935e-06% change) linmin: converged after 3 iterations. iteration 574: trace = 2.412632061401309 (1.50817e-06% change) linmin: converged after 4 iterations. iteration 575: trace = 2.412632048557409 (5.32361e-07% change) large trace change predicted (1.14498e-06%) linmin: converged after 5 iterations. iteration 576: trace = 2.412632020932712 (1.145e-06% change) linmin: converged after 3 iterations. iteration 577: trace = 2.412632011126674 (4.06446e-07% change) linmin: converged after 2 iterations. iteration 578: trace = 2.412631995874579 (6.32177e-07% change) linmin: converged after 4 iterations. iteration 579: trace = 2.41263197896067 (7.01056e-07% change) linmin: converged after 3 iterations. iteration 580: trace = 2.412631973942156 (2.0801e-07% change) linmin: converged after 7 iterations. iteration 581: trace = 2.412631968292681 (2.34162e-07% change) large trace change predicted (6.12867e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.412631953505372 (6.12912e-07% change) linmin: converged after 31 iterations. iteration 583: trace = 2.412631950336109 (1.31361e-07% change) large trace change predicted (5.99932e-07%) linmin: converged after 4 iterations. iteration 584: trace = 2.412631935859884 (6.00018e-07% change) linmin: converged after 15 iterations. iteration 585: trace = 2.41263192768191 (3.38965e-07% change) linmin: converged after 7 iterations. iteration 586: trace = 2.412631922863373 (1.99721e-07% change) large trace change predicted (5.84064e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.412631908769953 (5.84151e-07% change) linmin: converged after 3 iterations. iteration 588: trace = 2.41263189445185 (5.93464e-07% change) linmin: converged after 3 iterations. iteration 589: trace = 2.412631889210663 (2.17239e-07% change) large trace change predicted (7.96732e-07%) linmin: converged after 3 iterations. iteration 590: trace = 2.412631869986904 (7.96796e-07% change) linmin: converged after 3 iterations. iteration 591: trace = 2.41263185711967 (5.33328e-07% change) linmin: converged after 3 iterations. iteration 592: trace = 2.412631847821285 (3.85404e-07% change) large trace change predicted (1.10194e-06%) linmin: converged after 4 iterations. iteration 593: trace = 2.412631821232198 (1.10208e-06% change) linmin: converged after 4 iterations. iteration 594: trace = 2.412631786206274 (1.45177e-06% change) linmin: converged after 3 iterations. iteration 595: trace = 2.41263176985648 (6.77675e-07% change) large trace change predicted (2.22662e-06%) linmin: converged after 3 iterations. iteration 596: trace = 2.412631716096847 (2.22826e-06% change) linmin: converged after 3 iterations. iteration 597: trace = 2.412631703763633 (5.11193e-07% change) linmin: converged after 4 iterations. iteration 598: trace = 2.412631694597279 (3.79932e-07% change) large trace change predicted (1.057e-06%) linmin: converged after 5 iterations. iteration 599: trace = 2.412631669090178 (1.05723e-06% change) linmin: converged after 24 iterations. iteration 600: trace = 2.412631666577382 (1.04152e-07% change) large trace change predicted (6.32033e-07%) linmin: converged after 3 iterations. iteration 601: trace = 2.412631651327268 (6.32095e-07% change) linmin: converged after 12 iterations. iteration 602: trace = 2.412631642500072 (3.65874e-07% change) linmin: converged after 10 iterations. iteration 603: trace = 2.412631639502962 (1.24226e-07% change) large trace change predicted (2.7101e-07%) linmin: converged after 2 iterations. iteration 604: trace = 2.412631632964456 (2.71011e-07% change) linmin: converged after 31 iterations. iteration 605: trace = 2.412631623224284 (4.03716e-07% change) linmin: converged after 10 iterations. iteration 606: trace = 2.412631621437908 (7.40426e-08% change) large trace change predicted (4.79149e-07%) linmin: converged after 16 iterations. iteration 607: trace = 2.412631609877675 (4.79154e-07% change) linmin: converged after 19 iterations. iteration 608: trace = 2.412631605161407 (1.95482e-07% change) linmin: converged after 25 iterations. iteration 609: trace = 2.412631599555391 (2.32361e-07% change) linmin: converged after 6 iterations. iteration 610: trace = 2.412631593178603 (2.64308e-07% change) linmin: converged after 3 iterations. iteration 611: trace = 2.41263158701481 (2.5548e-07% change) linmin: converged after 33 iterations. iteration 612: trace = 2.41263157963608 (3.05837e-07% change) large trace change predicted (6.98035e-07%) linmin: converged after 6 iterations. iteration 613: trace = 2.412631562796769 (6.97964e-07% change) linmin: converged after 17 iterations. iteration 614: trace = 2.412631553718684 (3.76273e-07% change) linmin: converged after 8 iterations. iteration 615: trace = 2.412631539941835 (5.7103e-07% change) linmin: converged after 4 iterations. iteration 616: trace = 2.412631517181493 (9.43382e-07% change) linmin: converged after 28 iterations. iteration 617: trace = 2.41263150355989 (5.64595e-07% change) large trace change predicted (1.18514e-06%) linmin: converged after 4 iterations. iteration 618: trace = 2.412631474967517 (1.18511e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.412631442270336 (1.35525e-06% change) linmin: converged after 2 iterations. iteration 620: trace = 2.412631435127363 (2.96066e-07% change) large trace change predicted (1.13257e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.412631407804125 (1.13251e-06% change) linmin: converged after 6 iterations. iteration 622: trace = 2.412631401965749 (2.41992e-07% change) linmin: converged after 3 iterations. iteration 623: trace = 2.412631397521911 (1.84191e-07% change) large trace change predicted (5.10997e-07%) linmin: converged after 3 iterations. iteration 624: trace = 2.412631385193774 (5.10983e-07% change) linmin: converged after 3 iterations. iteration 625: trace = 2.412631378770197 (2.66248e-07% change) linmin: converged after 4 iterations. iteration 626: trace = 2.41263137484718 (1.62603e-07% change) linmin: converged after 11 iterations. iteration 627: trace = 2.412631370814226 (1.6716e-07% change) linmin: converged after 35 iterations. iteration 628: trace = 2.412631366116999 (1.94693e-07% change) linmin: converged after 16 iterations. iteration 629: trace = 2.412631356821822 (3.85271e-07% change) resetting CG direction... linmin: converged after 5 iterations. iteration 630: trace = 2.412631348575617 (3.41793e-07% change) linmin: converged after 14 iterations. iteration 631: trace = 2.412631344775499 (1.57509e-07% change) linmin: converged after 14 iterations. iteration 632: trace = 2.41263134037631 (1.8234e-07% change) linmin: converged after 24 iterations. iteration 633: trace = 2.412631337019239 (1.39146e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.412631331932099 (2.10854e-07% change) large trace change predicted (4.35955e-07%) linmin: converged after 2 iterations. iteration 635: trace = 2.412631321414021 (4.35959e-07% change) linmin: converged after 4 iterations. iteration 636: trace = 2.412631318506287 (1.20521e-07% change) linmin: converged after 4 iterations. iteration 637: trace = 2.412631312746789 (2.38723e-07% change) large trace change predicted (7.69623e-07%) linmin: converged after 5 iterations. iteration 638: trace = 2.412631294178333 (7.69635e-07% change) linmin: converged after 3 iterations. iteration 639: trace = 2.412631291034589 (1.30304e-07% change) large trace change predicted (1.09448e-06%) linmin: converged after 3 iterations. iteration 640: trace = 2.412631264628368 (1.0945e-06% change) linmin: converged after 3 iterations. iteration 641: trace = 2.41263124912147 (6.42738e-07% change) linmin: converged after 2 iterations. iteration 642: trace = 2.412631239439007 (4.01324e-07% change) large trace change predicted (9.91288e-07%) linmin: converged after 2 iterations. iteration 643: trace = 2.412631215522822 (9.91291e-07% change) linmin: converged after 18 iterations. iteration 644: trace = 2.412631200366761 (6.28196e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.412631192481276 (3.26842e-07% change) large trace change predicted (7.02471e-07%) linmin: converged after 6 iterations. iteration 646: trace = 2.412631175532277 (7.02511e-07% change) linmin: converged after 4 iterations. iteration 647: trace = 2.412631168356966 (2.97406e-07% change) linmin: converged after 20 iterations. iteration 648: trace = 2.412631164524544 (1.58848e-07% change) linmin: converged after 4 iterations. iteration 649: trace = 2.412631160092022 (1.83721e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.412631156216765 (1.60624e-07% change) linmin: converged after 13 iterations. iteration 651: trace = 2.412631151694931 (1.87423e-07% change) linmin: converged after 3 iterations. iteration 652: trace = 2.412631144549845 (2.96153e-07% change) linmin: converged after 21 iterations. iteration 653: trace = 2.412631142902795 (6.82678e-08% change) large trace change predicted (1.86389e-07%) linmin: converged after 3 iterations. iteration 654: trace = 2.412631138406192 (1.86378e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.412631130435484 (3.30374e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.41263112839775 (8.4461e-08% change) large trace change predicted (2.72789e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.412631121816636 (2.72777e-07% change) linmin: converged after 4 iterations. iteration 658: trace = 2.412631111959638 (4.08558e-07% change) linmin: converged after 27 iterations. iteration 659: trace = 2.412631109871882 (8.65344e-08% change) large trace change predicted (4.30123e-07%) linmin: converged after 5 iterations. iteration 660: trace = 2.412631099495444 (4.30088e-07% change) linmin: converged after 4 iterations. iteration 661: trace = 2.412631088750692 (4.45354e-07% change) linmin: converged after 3 iterations. iteration 662: trace = 2.412631085005991 (1.55212e-07% change) large trace change predicted (1.39051e-06%) linmin: converged after 3 iterations. iteration 663: trace = 2.412631051470876 (1.38998e-06% change) linmin: converged after 8 iterations. iteration 664: trace = 2.412631044534053 (2.87521e-07% change) large trace change predicted (1.23614e-06%) linmin: converged after 4 iterations. iteration 665: trace = 2.412631014718941 (1.23579e-06% change) linmin: converged after 3 iterations. iteration 666: trace = 2.41263100083395 (5.75512e-07% change) linmin: converged after 3 iterations. iteration 667: trace = 2.412630991920331 (3.69456e-07% change) linmin: converged after 3 iterations. iteration 668: trace = 2.412630983382888 (3.53864e-07% change) linmin: converged after 3 iterations. iteration 669: trace = 2.412630972064142 (4.69145e-07% change) linmin: converged after 4 iterations. iteration 670: trace = 2.412630969681539 (9.87554e-08% change) large trace change predicted (5.38462e-07%) linmin: converged after 3 iterations. iteration 671: trace = 2.412630956692355 (5.38383e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.412630950687375 (2.48898e-07% change) linmin: converged after 3 iterations. iteration 673: trace = 2.412630946401386 (1.77648e-07% change) linmin: converged after 9 iterations. iteration 674: trace = 2.41263094178895 (1.91179e-07% change) linmin: converged after 24 iterations. iteration 675: trace = 2.412630934478377 (3.03012e-07% change) linmin: converged after 4 iterations. iteration 676: trace = 2.412630933127947 (5.59733e-08% change) large trace change predicted (3.44664e-07%) linmin: converged after 6 iterations. iteration 677: trace = 2.412630924812629 (3.44658e-07% change) linmin: converged after 7 iterations. iteration 678: trace = 2.412630919927929 (2.02464e-07% change) linmin: converged after 3 iterations. iteration 679: trace = 2.41263091635969 (1.47898e-07% change) linmin: converged after 23 iterations. iteration 680: trace = 2.412630910426177 (2.45935e-07% change) linmin: converged after 24 iterations. iteration 681: trace = 2.412630901972597 (3.50388e-07% change) linmin: converged after 3 iterations. iteration 682: trace = 2.412630897961046 (1.66273e-07% change) large trace change predicted (5.35305e-07%) linmin: converged after 3 iterations. iteration 683: trace = 2.412630885046321 (5.35296e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.412630878513609 (2.70771e-07% change) large trace change predicted (9.49463e-07%) linmin: converged after 18 iterations. iteration 685: trace = 2.412630855606361 (9.49472e-07% change) linmin: converged after 19 iterations. iteration 686: trace = 2.412630840618719 (6.21216e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.412630829084438 (4.78079e-07% change) large trace change predicted (1.5255e-06%) linmin: converged after 4 iterations. iteration 688: trace = 2.412630792274733 (1.52571e-06% change) linmin: converged after 16 iterations. iteration 689: trace = 2.412630775594847 (6.91357e-07% change) linmin: converged after 27 iterations. iteration 690: trace = 2.412630758540615 (7.06873e-07% change) linmin: converged after 5 iterations. iteration 691: trace = 2.412630748164281 (4.30084e-07% change) linmin: converged after 20 iterations. iteration 692: trace = 2.412630739295457 (3.676e-07% change) linmin: converged after 12 iterations. iteration 693: trace = 2.412630734745228 (1.886e-07% change) linmin: converged after 24 iterations. iteration 694: trace = 2.412630725898428 (3.66687e-07% change) linmin: converged after 2 iterations. iteration 695: trace = 2.412630722953378 (1.22068e-07% change) linmin: converged after 3 iterations. iteration 696: trace = 2.412630717528356 (2.24859e-07% change) linmin: converged after 3 iterations. iteration 697: trace = 2.412630712908632 (1.91481e-07% change) linmin: converged after 3 iterations. iteration 698: trace = 2.412630708134426 (1.97884e-07% change) linmin: converged after 19 iterations. iteration 699: trace = 2.412630705452566 (1.11159e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.412630702900199 (1.05792e-07% change) linmin: converged after 7 iterations. iteration 701: trace = 2.412630698721329 (1.73208e-07% change) linmin: converged after 7 iterations. iteration 702: trace = 2.412630694195756 (1.87578e-07% change) linmin: converged after 20 iterations. iteration 703: trace = 2.412630691729648 (1.02217e-07% change) large trace change predicted (2.11554e-07%) linmin: converged after 3 iterations. iteration 704: trace = 2.412630686625747 (2.11549e-07% change) linmin: converged after 3 iterations. iteration 705: trace = 2.412630679417385 (2.98776e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.412630676464367 (1.22398e-07% change) large trace change predicted (3.35451e-07%) linmin: converged after 15 iterations. iteration 707: trace = 2.412630668371055 (3.35456e-07% change) linmin: converged after 26 iterations. iteration 708: trace = 2.412630660066947 (3.44193e-07% change) linmin: converged after 21 iterations. iteration 709: trace = 2.412630655300423 (1.97565e-07% change) large trace change predicted (9.85635e-07%) linmin: converged after 5 iterations. iteration 710: trace = 2.412630631521224 (9.85613e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.412630608200811 (9.66597e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.412630595400104 (5.30571e-07% change) linmin: converged after 5 iterations. iteration 713: trace = 2.412630583487556 (4.93758e-07% change) linmin: converged after 21 iterations. iteration 714: trace = 2.412630570397255 (5.42574e-07% change) linmin: converged after 2 iterations. iteration 715: trace = 2.412630561316741 (3.76374e-07% change) linmin: converged after 3 iterations. iteration 716: trace = 2.412630551927635 (3.89165e-07% change) linmin: converged after 10 iterations. iteration 717: trace = 2.412630549969792 (8.11497e-08% change) large trace change predicted (2.62939e-07%) linmin: converged after 3 iterations. iteration 718: trace = 2.412630543625931 (2.62944e-07% change) linmin: converged after 7 iterations. iteration 719: trace = 2.41263053932054 (1.78452e-07% change) linmin: converged after 4 iterations. iteration 720: trace = 2.412630537377462 (8.05377e-08% change) linmin: converged after 7 iterations. iteration 721: trace = 2.412630534065912 (1.37259e-07% change) linmin: converged after 4 iterations. iteration 722: trace = 2.412630529173448 (2.02785e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.412630527477726 (7.02852e-08% change) large trace change predicted (1.68396e-07%) linmin: converged after 19 iterations. iteration 724: trace = 2.412630523414882 (1.68399e-07% change) linmin: converged after 5 iterations. iteration 725: trace = 2.412630520770119 (1.09622e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.412630519124897 (6.8192e-08% change) large trace change predicted (2.48063e-07%) linmin: converged after 17 iterations. iteration 727: trace = 2.412630513139425 (2.48089e-07% change) linmin: converged after 3 iterations. iteration 728: trace = 2.412630511876392 (5.23509e-08% change) large trace change predicted (2.20921e-07%) linmin: converged after 3 iterations. iteration 729: trace = 2.412630506545948 (2.20939e-07% change) linmin: converged after 3 iterations. iteration 730: trace = 2.412630500855044 (2.3588e-07% change) linmin: converged after 9 iterations. iteration 731: trace = 2.412630493746356 (2.94645e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.412630490600628 (1.30386e-07% change) large trace change predicted (3.55075e-07%) linmin: converged after 15 iterations. iteration 733: trace = 2.412630482033123 (3.55111e-07% change) linmin: converged after 6 iterations. iteration 734: trace = 2.412630467997332 (5.81763e-07% change) linmin: converged after 13 iterations. iteration 735: trace = 2.412630461475286 (2.70329e-07% change) large trace change predicted (8.04978e-07%) linmin: converged after 5 iterations. iteration 736: trace = 2.412630442046265 (8.05304e-07% change) linmin: converged after 6 iterations. iteration 737: trace = 2.412630438149124 (1.61531e-07% change) linmin: converged after 28 iterations. iteration 738: trace = 2.412630434604044 (1.46938e-07% change) large trace change predicted (3.61263e-07%) linmin: converged after 5 iterations. iteration 739: trace = 2.412630425887123 (3.61304e-07% change) linmin: converged after 22 iterations. iteration 740: trace = 2.412630424476987 (5.84481e-08% change) large trace change predicted (1.66958e-07%) linmin: converged after 23 iterations. iteration 741: trace = 2.412630420448752 (1.66964e-07% change) linmin: converged after 23 iterations. iteration 742: trace = 2.412630416581729 (1.60282e-07% change) linmin: converged after 3 iterations. iteration 743: trace = 2.412630415566934 (4.20618e-08% change) large trace change predicted (9.5054e-08%) linmin: converged after 26 iterations. iteration 744: trace = 2.412630413273622 (9.50544e-08% change) linmin: converged after 8 iterations. iteration 745: trace = 2.412630409750568 (1.46025e-07% change) linmin: converged after 4 iterations. iteration 746: trace = 2.412630408899045 (3.52944e-08% change) large trace change predicted (1.74437e-07%) linmin: converged after 2 iterations. iteration 747: trace = 2.412630404690509 (1.74438e-07% change) linmin: converged after 3 iterations. iteration 748: trace = 2.412630402828781 (7.71659e-08% change) linmin: converged after 5 iterations. iteration 749: trace = 2.41263040125073 (6.54079e-08% change) linmin: converged after 2 iterations. iteration 750: trace = 2.412630398787035 (1.02117e-07% change) linmin: converged after 8 iterations. iteration 751: trace = 2.412630396692446 (8.68176e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.412630393831708 (1.18573e-07% change) linmin: converged after 6 iterations. iteration 753: trace = 2.412630388799679 (2.0857e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.412630386543187 (9.35283e-08% change) large trace change predicted (2.19226e-07%) linmin: converged after 5 iterations. iteration 755: trace = 2.412630381254233 (2.19219e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.412630372666863 (3.55934e-07% change) linmin: converged after 7 iterations. iteration 757: trace = 2.412630369953678 (1.12458e-07% change) large trace change predicted (5.4323e-07%) linmin: converged after 4 iterations. iteration 758: trace = 2.412630356847925 (5.43214e-07% change) linmin: converged after 4 iterations. iteration 759: trace = 2.412630345477035 (4.71307e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.412630343402828 (8.59728e-08% change) large trace change predicted (3.18989e-07%) linmin: converged after 3 iterations. iteration 761: trace = 2.412630335707014 (3.1898e-07% change) linmin: converged after 3 iterations. iteration 762: trace = 2.412630333198186 (1.03987e-07% change) linmin: converged after 19 iterations. iteration 763: trace = 2.412630331974383 (5.07248e-08% change) large trace change predicted (1.87012e-07%) linmin: converged after 3 iterations. iteration 764: trace = 2.41263032746255 (1.87009e-07% change) linmin: converged after 4 iterations. iteration 765: trace = 2.412630326563659 (3.72577e-08% change) large trace change predicted (9.19309e-08%) linmin: converged after 10 iterations. iteration 766: trace = 2.412630324345699 (9.19312e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.412630322187022 (8.9474e-08% change) linmin: converged after 10 iterations. iteration 768: trace = 2.412630321514101 (2.78916e-08% change) large trace change predicted (7.72777e-08%) linmin: converged after 7 iterations. iteration 769: trace = 2.412630319649701 (7.72767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.412630317868127 (7.38436e-08% change) linmin: converged after 3 iterations. iteration 771: trace = 2.412630317237427 (2.61416e-08% change) large trace change predicted (8.7879e-08%) linmin: converged after 26 iterations. iteration 772: trace = 2.412630315117234 (8.78789e-08% change) linmin: converged after 4 iterations. iteration 773: trace = 2.412630313020271 (8.69161e-08% change) linmin: converged after 5 iterations. iteration 774: trace = 2.412630312173231 (3.51085e-08% change) large trace change predicted (1.58423e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.412630308351077 (1.58423e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.412630306755297 (6.61427e-08% change) linmin: converged after 6 iterations. iteration 777: trace = 2.412630305150861 (6.65015e-08% change) large trace change predicted (3.1318e-07%) linmin: converged after 9 iterations. iteration 778: trace = 2.412630297594885 (3.13184e-07% change) linmin: converged after 11 iterations. iteration 779: trace = 2.412630296100234 (6.19511e-08% change) large trace change predicted (3.95827e-07%) linmin: converged after 3 iterations. iteration 780: trace = 2.412630286550218 (3.95834e-07% change) linmin: converged after 7 iterations. iteration 781: trace = 2.412630279542905 (2.90443e-07% change) linmin: converged after 3 iterations. iteration 782: trace = 2.412630275350564 (1.73766e-07% change) linmin: converged after 3 iterations. iteration 783: trace = 2.412630269668914 (2.35496e-07% change) linmin: converged after 19 iterations. iteration 784: trace = 2.412630262832058 (2.83378e-07% change) linmin: converged after 4 iterations. iteration 785: trace = 2.412630261446174 (5.74428e-08% change) large trace change predicted (1.87201e-07%) linmin: converged after 9 iterations. iteration 786: trace = 2.412630256929665 (1.87203e-07% change) linmin: converged after 9 iterations. iteration 787: trace = 2.412630254537486 (9.91523e-08% change) linmin: converged after 3 iterations. iteration 788: trace = 2.412630253518343 (4.2242e-08% change) linmin: converged after 19 iterations. iteration 789: trace = 2.412630251920914 (6.62111e-08% change) linmin: converged after 8 iterations. iteration 790: trace = 2.41263024910309 (1.16795e-07% change) linmin: converged after 4 iterations. iteration 791: trace = 2.412630248726472 (1.56103e-08% change) large trace change predicted (1.09238e-07%) linmin: converged after 9 iterations. iteration 792: trace = 2.412630246091002 (1.09236e-07% change) linmin: converged after 3 iterations. iteration 793: trace = 2.412630244922155 (4.8447e-08% change) linmin: converged after 18 iterations. iteration 794: trace = 2.412630244232069 (2.8603e-08% change) large trace change predicted (1.34397e-07%) linmin: converged after 3 iterations. iteration 795: trace = 2.412630240989678 (1.34392e-07% change) linmin: converged after 4 iterations. iteration 796: trace = 2.412630240262083 (3.01578e-08% change) large trace change predicted (1.1302e-07%) linmin: converged after 3 iterations. iteration 797: trace = 2.412630237535456 (1.13015e-07% change) linmin: converged after 5 iterations. iteration 798: trace = 2.412630234820691 (1.12523e-07% change) linmin: converged after 3 iterations. iteration 799: trace = 2.41263023377728 (4.32478e-08% change) large trace change predicted (1.02522e-07%) linmin: converged after 10 iterations. iteration 800: trace = 2.41263023130382 (1.02521e-07% change) large trace change predicted (2.76893e-07%) linmin: converged after 5 iterations. iteration 801: trace = 2.412630224624287 (2.76857e-07% change) linmin: converged after 17 iterations. iteration 802: trace = 2.412630222255615 (9.8178e-08% change) large trace change predicted (4.92994e-07%) linmin: converged after 4 iterations. iteration 803: trace = 2.412630210364647 (4.92863e-07% change) linmin: converged after 3 iterations. iteration 804: trace = 2.412630200433205 (4.11644e-07% change) linmin: converged after 28 iterations. iteration 805: trace = 2.412630195941604 (1.8617e-07% change) linmin: converged after 4 iterations. iteration 806: trace = 2.412630193608453 (9.67057e-08% change) large trace change predicted (2.60639e-07%) linmin: converged after 5 iterations. iteration 807: trace = 2.412630187320838 (2.60612e-07% change) linmin: converged after 4 iterations. iteration 808: trace = 2.412630183176117 (1.71793e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.412630182068422 (4.59124e-08% change) large trace change predicted (1.43362e-07%) linmin: converged after 10 iterations. iteration 810: trace = 2.412630178609815 (1.43354e-07% change) linmin: converged after 21 iterations. iteration 811: trace = 2.412630177234165 (5.70187e-08% change) linmin: converged after 18 iterations. iteration 812: trace = 2.412630176226698 (4.17581e-08% change) large trace change predicted (1.13102e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.412630173498098 (1.13096e-07% change) linmin: converged after 11 iterations. iteration 814: trace = 2.412630172429498 (4.42919e-08% change) large trace change predicted (9.31313e-08%) linmin: converged after 6 iterations. iteration 815: trace = 2.412630170182694 (9.31268e-08% change) linmin: converged after 7 iterations. iteration 816: trace = 2.412630168425175 (7.28466e-08% change) linmin: converged after 7 iterations. iteration 817: trace = 2.412630167335922 (4.5148e-08% change) linmin: converged after 34 iterations. iteration 818: trace = 2.4126301655405 (7.44176e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.412630162508688 (1.25664e-07% change) linmin: converged after 6 iterations. iteration 820: trace = 2.412630161403833 (4.57946e-08% change) large trace change predicted (1.57552e-07%) linmin: converged after 3 iterations. iteration 821: trace = 2.412630157602701 (1.57551e-07% change) linmin: converged after 3 iterations. iteration 822: trace = 2.412630155205343 (9.9367e-08% change) linmin: converged after 13 iterations. iteration 823: trace = 2.412630152160419 (1.26208e-07% change) linmin: converged after 10 iterations. iteration 824: trace = 2.412630146434432 (2.37334e-07% change) linmin: converged after 7 iterations. iteration 825: trace = 2.412630140606383 (2.41564e-07% change) linmin: converged after 3 iterations. iteration 826: trace = 2.412630136110739 (1.86338e-07% change) large trace change predicted (6.51358e-07%) linmin: converged after 22 iterations. iteration 827: trace = 2.412630120394821 (6.51402e-07% change) linmin: converged after 13 iterations. iteration 828: trace = 2.412630118507895 (7.82103e-08% change) large trace change predicted (2.9953e-07%) linmin: converged after 19 iterations. iteration 829: trace = 2.412630111281268 (2.99533e-07% change) linmin: converged after 24 iterations. iteration 830: trace = 2.412630105783522 (2.27874e-07% change) linmin: converged after 16 iterations. iteration 831: trace = 2.412630103763826 (8.37134e-08% change) linmin: converged after 3 iterations. iteration 832: trace = 2.412630100578352 (1.32033e-07% change) linmin: converged after 3 iterations. iteration 833: trace = 2.412630097388273 (1.32224e-07% change) linmin: converged after 3 iterations. iteration 834: trace = 2.412630096662051 (3.01008e-08% change) large trace change predicted (1.06026e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.412630094104007 (1.06027e-07% change) linmin: converged after 4 iterations. iteration 836: trace = 2.412630093020168 (4.49236e-08% change) linmin: converged after 4 iterations. iteration 837: trace = 2.412630091649397 (5.68165e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.412630090038643 (6.67634e-08% change) large trace change predicted (1.85395e-07%) linmin: converged after 5 iterations. iteration 839: trace = 2.412630085565559 (1.85403e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 840: trace = 2.41263008151028 (1.68085e-07% change) linmin: converged after 2 iterations. iteration 841: trace = 2.412630079878606 (6.76305e-08% change) linmin: converged after 4 iterations. iteration 842: trace = 2.412630078477312 (5.80816e-08% change) linmin: converged after 9 iterations. iteration 843: trace = 2.412630077511205 (4.00437e-08% change) large trace change predicted (1.0145e-07%) linmin: converged after 4 iterations. iteration 844: trace = 2.412630075063618 (1.01449e-07% change) linmin: converged after 13 iterations. iteration 845: trace = 2.412630074286727 (3.2201e-08% change) large trace change predicted (8.56865e-08%) linmin: converged after 3 iterations. iteration 846: trace = 2.412630072219485 (8.56842e-08% change) linmin: converged after 7 iterations. iteration 847: trace = 2.412630069692656 (1.04733e-07% change) linmin: converged after 3 iterations. iteration 848: trace = 2.412630068370095 (5.48183e-08% change) large trace change predicted (1.5323e-07%) linmin: converged after 4 iterations. iteration 849: trace = 2.412630064673256 (1.53229e-07% change) large trace change predicted (3.21858e-07%) linmin: converged after 7 iterations. iteration 850: trace = 2.412630056908164 (3.21852e-07% change) linmin: converged after 4 iterations. iteration 851: trace = 2.41263005546774 (5.97035e-08% change) large trace change predicted (4.3889e-07%) linmin: converged after 11 iterations. iteration 852: trace = 2.412630044879021 (4.38887e-07% change) linmin: converged after 10 iterations. iteration 853: trace = 2.412630040042149 (2.00481e-07% change) linmin: converged after 8 iterations. iteration 854: trace = 2.412630037298545 (1.13718e-07% change) linmin: converged after 7 iterations. iteration 855: trace = 2.412630032813382 (1.85903e-07% change) linmin: converged after 4 iterations. iteration 856: trace = 2.412630029399109 (1.41517e-07% change) linmin: converged after 2 iterations. iteration 857: trace = 2.412630028212164 (4.91971e-08% change) linmin: converged after 18 iterations. iteration 858: trace = 2.412630026220737 (8.25417e-08% change) linmin: converged after 16 iterations. iteration 859: trace = 2.412630024819416 (5.80827e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.412630024026551 (3.28631e-08% change) linmin: converged after 3 iterations. iteration 861: trace = 2.412630022553406 (6.10597e-08% change) linmin: converged after 3 iterations. iteration 862: trace = 2.41263002171375 (3.48025e-08% change) linmin: converged after 9 iterations. iteration 863: trace = 2.412630020152418 (6.4715e-08% change) linmin: converged after 16 iterations. iteration 864: trace = 2.412630019147033 (4.16717e-08% change) linmin: converged after 6 iterations. iteration 865: trace = 2.41263001848697 (2.73587e-08% change) linmin: converged after 3 iterations. iteration 866: trace = 2.41263001729565 (4.93785e-08% change) linmin: converged after 26 iterations. iteration 867: trace = 2.412630015476 (7.54219e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.412630014722096 (3.12482e-08% change) large trace change predicted (7.86228e-08%) linmin: converged after 23 iterations. iteration 869: trace = 2.412630012825134 (7.86263e-08% change) linmin: converged after 6 iterations. iteration 870: trace = 2.412630011092031 (7.18346e-08% change) linmin: converged after 3 iterations. iteration 871: trace = 2.412630010196684 (3.71108e-08% change) large trace change predicted (9.56084e-08%) linmin: converged after 21 iterations. iteration 872: trace = 2.412630007889925 (9.56118e-08% change) linmin: converged after 14 iterations. iteration 873: trace = 2.412630004057833 (1.58835e-07% change) linmin: converged after 5 iterations. iteration 874: trace = 2.412630000345374 (1.53876e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.412629996960273 (1.40308e-07% change) linmin: converged after 4 iterations. iteration 876: trace = 2.41262999182819 (2.12717e-07% change) linmin: converged after 3 iterations. iteration 877: trace = 2.41262998997961 (7.6621e-08% change) linmin: converged after 7 iterations. iteration 878: trace = 2.412629987744847 (9.26277e-08% change) linmin: converged after 5 iterations. iteration 879: trace = 2.41262998472488 (1.25173e-07% change) linmin: converged after 4 iterations. iteration 880: trace = 2.41262998388736 (3.4714e-08% change) large trace change predicted (7.91859e-08%) linmin: converged after 4 iterations. iteration 881: trace = 2.412629981976823 (7.9189e-08% change) linmin: converged after 2 iterations. iteration 882: trace = 2.412629981234265 (3.07779e-08% change) linmin: converged after 4 iterations. iteration 883: trace = 2.41262998053784 (2.88658e-08% change) linmin: converged after 4 iterations. iteration 884: trace = 2.412629979558923 (4.05747e-08% change) linmin: converged after 3 iterations. iteration 885: trace = 2.412629978925704 (2.6246e-08% change) linmin: converged after 20 iterations. iteration 886: trace = 2.412629978009389 (3.79799e-08% change) linmin: converged after 2 iterations. iteration 887: trace = 2.412629976503111 (6.2433e-08% change) linmin: converged after 6 iterations. iteration 888: trace = 2.412629976306796 (8.13697e-09% change) large trace change predicted (3.06396e-08%) linmin: converged after 4 iterations. iteration 889: trace = 2.412629975567579 (3.06395e-08% change) linmin: converged after 4 iterations. iteration 890: trace = 2.412629974494204 (4.44898e-08% change) linmin: converged after 7 iterations. iteration 891: trace = 2.412629974274471 (9.10762e-09% change) large trace change predicted (7.08135e-08%) linmin: converged after 3 iterations. iteration 892: trace = 2.41262997256604 (7.0812e-08% change) linmin: converged after 13 iterations. iteration 893: trace = 2.412629971667166 (3.7257e-08% change) linmin: converged after 9 iterations. iteration 894: trace = 2.412629970211166 (6.03491e-08% change) linmin: converged after 3 iterations. iteration 895: trace = 2.4126299675696 (1.09489e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.412629966679517 (3.68926e-08% change) large trace change predicted (9.2062e-08%) linmin: converged after 16 iterations. iteration 897: trace = 2.412629964458456 (9.20598e-08% change) linmin: converged after 4 iterations. iteration 898: trace = 2.412629960107839 (1.80327e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.412629956681058 (1.42035e-07% change) linmin: converged after 17 iterations. iteration 900: trace = 2.412629955568261 (4.61238e-08% change) large trace change predicted (1.24164e-07%) linmin: converged after 3 iterations. iteration 901: trace = 2.412629952572671 (1.24163e-07% change) linmin: converged after 7 iterations. iteration 902: trace = 2.41262995211164 (1.91091e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.412629951351644 (3.15007e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.412629949860268 (6.18154e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.412629949640863 (9.094e-09% change) large trace change predicted (4.08356e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.412629948655661 (4.08352e-08% change) linmin: converged after 3 iterations. iteration 907: trace = 2.412629948000308 (2.71634e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.412629947791989 (8.63451e-09% change) large trace change predicted (2.62099e-08%) linmin: converged after 3 iterations. iteration 909: trace = 2.412629947159648 (2.62096e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.412629946603579 (2.30482e-08% change) linmin: converged after 18 iterations. iteration 911: trace = 2.412629946430211 (7.18585e-09% change) large trace change predicted (2.97514e-08%) linmin: converged after 4 iterations. iteration 912: trace = 2.412629945712421 (2.97514e-08% change) linmin: converged after 4 iterations. iteration 913: trace = 2.412629945037566 (2.79718e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.412629944635202 (1.66774e-08% change) large trace change predicted (5.89224e-08%) linmin: converged after 29 iterations. iteration 915: trace = 2.412629943213624 (5.89224e-08% change) linmin: converged after 28 iterations. iteration 916: trace = 2.412629942673241 (2.23981e-08% change) linmin: converged after 37 iterations. iteration 917: trace = 2.412629942084224 (2.44139e-08% change) large trace change predicted (1.08341e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.412629939470376 (1.0834e-07% change) linmin: converged after 12 iterations. iteration 919: trace = 2.412629939024025 (1.85006e-08% change) large trace change predicted (1.45008e-07%) linmin: converged after 36 iterations. iteration 920: trace = 2.412629935525507 (1.45008e-07% change) linmin: converged after 35 iterations. iteration 921: trace = 2.412629933133675 (9.9138e-08% change) linmin: converged after 33 iterations. iteration 922: trace = 2.412629931939856 (4.94821e-08% change) linmin: converged after 6 iterations. iteration 923: trace = 2.412629929684806 (9.34685e-08% change) linmin: converged after 3 iterations. iteration 924: trace = 2.412629927522294 (8.9633e-08% change) linmin: converged after 3 iterations. iteration 925: trace = 2.412629926960233 (2.32966e-08% change) large trace change predicted (6.17147e-08%) linmin: converged after 4 iterations. iteration 926: trace = 2.412629925471272 (6.17153e-08% change) linmin: converged after 3 iterations. iteration 927: trace = 2.412629924752712 (2.97833e-08% change) linmin: converged after 18 iterations. iteration 928: trace = 2.412629924340847 (1.70712e-08% change) linmin: converged after 25 iterations. iteration 929: trace = 2.412629923690569 (2.69531e-08% change) linmin: converged after 3 iterations. iteration 930: trace = 2.412629922606678 (4.49257e-08% change) linmin: converged after 4 iterations. iteration 931: trace = 2.412629922381308 (9.34124e-09% change) large trace change predicted (2.78896e-08%) linmin: converged after 3 iterations. iteration 932: trace = 2.412629921708441 (2.78894e-08% change) linmin: converged after 2 iterations. iteration 933: trace = 2.41262992104805 (2.73722e-08% change) linmin: converged after 3 iterations. iteration 934: trace = 2.412629920845703 (8.38699e-09% change) large trace change predicted (4.79543e-08%) linmin: converged after 4 iterations. iteration 935: trace = 2.412629919688754 (4.79538e-08% change) linmin: converged after 4 iterations. iteration 936: trace = 2.412629919114845 (2.37877e-08% change) linmin: converged after 2 iterations. iteration 937: trace = 2.412629918511692 (2.49998e-08% change) large trace change predicted (5.65366e-08%) linmin: converged after 5 iterations. iteration 938: trace = 2.412629917147718 (5.65348e-08% change) linmin: converged after 2 iterations. iteration 939: trace = 2.412629916739739 (1.69101e-08% change) large trace change predicted (3.49757e-08%) linmin: converged after 6 iterations. iteration 940: trace = 2.412629915895912 (3.49754e-08% change) large trace change predicted (1.03946e-07%) linmin: converged after 25 iterations. iteration 941: trace = 2.412629913388183 (1.03942e-07% change) linmin: converged after 14 iterations. iteration 942: trace = 2.412629911739267 (6.83452e-08% change) large trace change predicted (1.3842e-07%) linmin: converged after 14 iterations. iteration 943: trace = 2.412629908400014 (1.38407e-07% change) linmin: converged after 4 iterations. iteration 944: trace = 2.412629905801034 (1.07724e-07% change) linmin: converged after 3 iterations. iteration 945: trace = 2.412629904539625 (5.22836e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.412629902658073 (7.79876e-08% change) linmin: converged after 5 iterations. iteration 947: trace = 2.412629900580813 (8.60994e-08% change) linmin: converged after 4 iterations. iteration 948: trace = 2.412629899923036 (2.72639e-08% change) linmin: converged after 17 iterations. iteration 949: trace = 2.412629898704476 (5.05076e-08% change) linmin: converged after 3 iterations. iteration 950: trace = 2.412629897638364 (4.41888e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.412629897314533 (1.34223e-08% change) linmin: converged after 3 iterations. iteration 952: trace = 2.412629896768283 (2.26413e-08% change) linmin: converged after 3 iterations. iteration 953: trace = 2.412629895711747 (4.37919e-08% change) linmin: converged after 6 iterations. iteration 954: trace = 2.412629895548865 (6.75123e-09% change) large trace change predicted (4.65758e-08%) linmin: converged after 9 iterations. iteration 955: trace = 2.412629894425191 (4.65747e-08% change) linmin: converged after 3 iterations. iteration 956: trace = 2.412629893390733 (4.28768e-08% change) linmin: converged after 24 iterations. iteration 957: trace = 2.412629893120608 (1.11963e-08% change) linmin: converged after 3 iterations. iteration 958: trace = 2.41262989263121 (2.02848e-08% change) large trace change predicted (4.44366e-08%) linmin: converged after 27 iterations. iteration 959: trace = 2.412629891559116 (4.44368e-08% change) linmin: converged after 4 iterations. iteration 960: trace = 2.412629891263049 (1.22716e-08% change) large trace change predicted (4.97846e-08%) linmin: converged after 4 iterations. iteration 961: trace = 2.41262989006193 (4.97846e-08% change) linmin: converged after 28 iterations. iteration 962: trace = 2.412629888406727 (6.86058e-08% change) linmin: converged after 3 iterations. iteration 963: trace = 2.412629887741038 (2.75918e-08% change) large trace change predicted (9.7619e-08%) linmin: converged after 6 iterations. iteration 964: trace = 2.412629885385868 (9.76184e-08% change) linmin: converged after 9 iterations. iteration 965: trace = 2.412629883467717 (7.95046e-08% change) linmin: converged after 16 iterations. iteration 966: trace = 2.412629881976846 (6.17944e-08% change) large trace change predicted (2.09176e-07%) linmin: converged after 23 iterations. iteration 967: trace = 2.412629876930009 (2.09184e-07% change) linmin: converged after 5 iterations. iteration 968: trace = 2.412629875543301 (5.7477e-08% change) linmin: converged after 23 iterations. iteration 969: trace = 2.412629873599101 (8.05842e-08% change) linmin: converged after 2 iterations. iteration 970: trace = 2.412629872166236 (5.93902e-08% change) linmin: converged after 6 iterations. iteration 971: trace = 2.412629871567043 (2.48357e-08% change) linmin: converged after 3 iterations. iteration 972: trace = 2.412629870410906 (4.79202e-08% change) linmin: converged after 3 iterations. iteration 973: trace = 2.412629869348892 (4.40189e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.412629869132651 (8.96287e-09% change) large trace change predicted (3.83009e-08%) linmin: converged after 3 iterations. iteration 975: trace = 2.412629868208587 (3.83011e-08% change) linmin: converged after 17 iterations. iteration 976: trace = 2.412629867508941 (2.89993e-08% change) linmin: converged after 4 iterations. iteration 977: trace = 2.41262986714653 (1.50214e-08% change) large trace change predicted (3.0632e-08%) linmin: converged after 3 iterations. iteration 978: trace = 2.412629866407475 (3.06327e-08% change) large trace change predicted (1.408e-07%) linmin: converged after 7 iterations. iteration 979: trace = 2.412629863010455 (1.40802e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.412629860052295 (1.22611e-07% change) linmin: converged after 3 iterations. iteration 981: trace = 2.412629859344464 (2.93386e-08% change) linmin: converged after 2 iterations. iteration 982: trace = 2.412629858880917 (1.92134e-08% change) linmin: converged after 2 iterations. iteration 983: trace = 2.412629858276113 (2.50682e-08% change) linmin: converged after 4 iterations. iteration 984: trace = 2.412629857509056 (3.17934e-08% change) linmin: converged after 4 iterations. iteration 985: trace = 2.412629857240155 (1.11455e-08% change) linmin: converged after 3 iterations. iteration 986: trace = 2.41262985674862 (2.03734e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.412629855932325 (3.38342e-08% change) linmin: converged after 4 iterations. iteration 988: trace = 2.412629855594522 (1.40014e-08% change) large trace change predicted (5.93685e-08%) linmin: converged after 35 iterations. iteration 989: trace = 2.412629854162197 (5.93678e-08% change) linmin: converged after 20 iterations. iteration 990: trace = 2.41262985235914 (7.47341e-08% change) linmin: converged after 16 iterations. iteration 991: trace = 2.412629851534124 (3.41957e-08% change) large trace change predicted (1.23989e-07%) linmin: converged after 5 iterations. iteration 992: trace = 2.412629848542833 (1.23985e-07% change) linmin: converged after 13 iterations. iteration 993: trace = 2.412629847636045 (3.7585e-08% change) linmin: converged after 16 iterations. iteration 994: trace = 2.412629846375563 (5.22451e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.412629843948068 (1.00616e-07% change) linmin: converged after 4 iterations. iteration 996: trace = 2.412629843607194 (1.41287e-08% change) large trace change predicted (6.7988e-08%) linmin: converged after 4 iterations. iteration 997: trace = 2.412629841966889 (6.79883e-08% change) linmin: converged after 6 iterations. iteration 998: trace = 2.412629841440538 (2.18165e-08% change) linmin: converged after 4 iterations. iteration 999: trace = 2.412629841193702 (1.0231e-08% change) large trace change predicted (3.12016e-08%) linmin: converged after 6 iterations. iteration 1000: trace = 2.412629840440918 (3.12018e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.412629839886335 (2.29866e-08% change) linmin: converged after 4 iterations. iteration 1002: trace = 2.412629839727234 (6.59449e-09% change) large trace change predicted (3.22075e-08%) linmin: converged after 4 iterations. iteration 1003: trace = 2.412629838950178 (3.22079e-08% change) linmin: converged after 4 iterations. iteration 1004: trace = 2.412629838660329 (1.20138e-08% change) linmin: converged after 14 iterations. iteration 1005: trace = 2.412629838191677 (1.94249e-08% change) linmin: converged after 16 iterations. iteration 1006: trace = 2.412629838007164 (7.64779e-09% change) large trace change predicted (3.11401e-08%) linmin: converged after 3 iterations. iteration 1007: trace = 2.412629837255847 (3.1141e-08% change) linmin: converged after 5 iterations. iteration 1008: trace = 2.412629837124343 (5.45064e-09% change) large trace change predicted (1.66649e-08%) linmin: converged after 3 iterations. iteration 1009: trace = 2.41262983672228 (1.66649e-08% change) linmin: converged after 13 iterations. iteration 1010: trace = 2.412629836093977 (2.60422e-08% change) linmin: converged after 4 iterations. iteration 1011: trace = 2.412629835782059 (1.29286e-08% change) large trace change predicted (3.07177e-08%) linmin: converged after 19 iterations. iteration 1012: trace = 2.412629835040941 (3.07182e-08% change) linmin: converged after 5 iterations. iteration 1013: trace = 2.412629833664326 (5.70587e-08% change) linmin: converged after 31 iterations. iteration 1014: trace = 2.412629833299759 (1.51108e-08% change) large trace change predicted (8.95773e-08%) linmin: converged after 4 iterations. iteration 1015: trace = 2.412629831138368 (8.95865e-08% change) linmin: converged after 8 iterations. iteration 1016: trace = 2.412629830159918 (4.05553e-08% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.412629829514783 (2.67399e-08% change) large trace change predicted (6.01776e-08%) linmin: converged after 5 iterations. iteration 1018: trace = 2.412629828062851 (6.01804e-08% change) linmin: converged after 24 iterations. iteration 1019: trace = 2.412629826752136 (5.43272e-08% change) linmin: converged after 19 iterations. iteration 1020: trace = 2.412629826615537 (5.66184e-09% change) large trace change predicted (2.52403e-08%) linmin: converged after 8 iterations. iteration 1021: trace = 2.41262982600657 (2.52408e-08% change) linmin: converged after 10 iterations. iteration 1022: trace = 2.412629825573912 (1.79331e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.41262982544609 (5.29803e-09% change) large trace change predicted (1.68311e-08%) linmin: converged after 4 iterations. iteration 1024: trace = 2.412629825040014 (1.68313e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.412629824620993 (1.73678e-08% change) linmin: converged after 6 iterations. iteration 1026: trace = 2.412629824476852 (5.97444e-09% change) large trace change predicted (2.18839e-08%) linmin: converged after 3 iterations. iteration 1027: trace = 2.412629823948873 (2.18839e-08% change) linmin: converged after 22 iterations. iteration 1028: trace = 2.412629823857702 (3.77891e-09% change) linmin: converged after 4 iterations. iteration 1029: trace = 2.412629823697462 (6.64174e-09% change) large trace change predicted (1.82985e-08%) linmin: converged after 3 iterations. iteration 1030: trace = 2.41262982325599 (1.82984e-08% change) linmin: converged after 36 iterations. iteration 1031: trace = 2.412629823126512 (5.36668e-09% change) large trace change predicted (2.03961e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.412629822634432 (2.0396e-08% change) linmin: converged after 21 iterations. iteration 1033: trace = 2.412629822112127 (2.16488e-08% change) linmin: converged after 3 iterations. iteration 1034: trace = 2.412629821927908 (7.6356e-09% change) large trace change predicted (3.34563e-08%) linmin: converged after 8 iterations. iteration 1035: trace = 2.412629821120743 (3.34558e-08% change) linmin: converged after 3 iterations. iteration 1036: trace = 2.412629820436516 (2.83602e-08% change) linmin: converged after 31 iterations. iteration 1037: trace = 2.412629820024577 (1.70743e-08% change) large trace change predicted (5.44343e-08%) linmin: converged after 5 iterations. iteration 1038: trace = 2.412629818711304 (5.44333e-08% change) linmin: converged after 6 iterations. iteration 1039: trace = 2.412629817677978 (4.28299e-08% change) linmin: converged after 7 iterations. iteration 1040: trace = 2.412629817059748 (2.56247e-08% change) linmin: converged after 5 iterations. iteration 1041: trace = 2.41262981609746 (3.98855e-08% change) linmin: converged after 9 iterations. iteration 1042: trace = 2.41262981570948 (1.60812e-08% change) linmin: converged after 16 iterations. iteration 1043: trace = 2.41262981556652 (5.92548e-09% change) large trace change predicted (2.34513e-08%) linmin: converged after 4 iterations. iteration 1044: trace = 2.412629815000735 (2.3451e-08% change) linmin: converged after 2 iterations. iteration 1045: trace = 2.412629814832913 (6.95597e-09% change) linmin: converged after 5 iterations. iteration 1046: trace = 2.412629814571759 (1.08245e-08% change) linmin: converged after 35 iterations. iteration 1047: trace = 2.412629814351824 (9.11599e-09% change) linmin: converged after 23 iterations. iteration 1048: trace = 2.412629814280324 (2.96358e-09% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.412629814141311 (5.76188e-09% change) resetting CG direction... linmin: converged after 12 iterations. iteration 1050: trace = 2.412629814011531 (5.37916e-09% change) linmin: converged after 25 iterations. iteration 1051: trace = 2.41262981394684 (2.68138e-09% change) large trace change predicted (9.09106e-09%) linmin: converged after 3 iterations. iteration 1052: trace = 2.412629813727504 (9.09116e-09% change) linmin: converged after 11 iterations. iteration 1053: trace = 2.412629813474037 (1.05058e-08% change) linmin: converged after 12 iterations. iteration 1054: trace = 2.412629813323608 (6.23508e-09% change) large trace change predicted (2.13059e-08%) linmin: converged after 29 iterations. iteration 1055: trace = 2.412629812809573 (2.1306e-08% change) linmin: converged after 4 iterations. iteration 1056: trace = 2.412629812661426 (6.14049e-09% change) large trace change predicted (1.23601e-08%) linmin: converged after 4 iterations. iteration 1057: trace = 2.412629812363224 (1.236e-08% change) large trace change predicted (3.90357e-08%) linmin: converged after 3 iterations. iteration 1058: trace = 2.41262981142143 (3.9036e-08% change) linmin: converged after 25 iterations. iteration 1059: trace = 2.412629810946882 (1.96693e-08% change) linmin: converged after 19 iterations. iteration 1060: trace = 2.412629810006206 (3.89896e-08% change) linmin: converged after 4 iterations. iteration 1061: trace = 2.412629809000206 (4.16972e-08% change) linmin: converged after 4 iterations. iteration 1062: trace = 2.412629808616698 (1.58959e-08% change) linmin: converged after 26 iterations. iteration 1063: trace = 2.4126298080259 (2.44877e-08% change) linmin: converged after 2 iterations. iteration 1064: trace = 2.412629807396376 (2.60929e-08% change) linmin: converged after 3 iterations. iteration 1065: trace = 2.41262980725605 (5.81631e-09% change) large trace change predicted (1.77826e-08%) linmin: converged after 4 iterations. iteration 1066: trace = 2.412629806827022 (1.77826e-08% change) linmin: converged after 23 iterations. iteration 1067: trace = 2.41262980650895 (1.31836e-08% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.41262980638918 (4.96427e-09% change) linmin: converged after 26 iterations. iteration 1069: trace = 2.412629806245564 (5.95267e-09% change) linmin: converged after 3 iterations. iteration 1070: trace = 2.412629806021013 (9.30735e-09% change) linmin: converged after 3 iterations. iteration 1071: trace = 2.412629805876823 (5.97643e-09% change) large trace change predicted (1.46939e-08%) linmin: converged after 27 iterations. iteration 1072: trace = 2.412629805522315 (1.46939e-08% change) linmin: converged after 4 iterations. iteration 1073: trace = 2.412629805419518 (4.26078e-09% change) linmin: converged after 4 iterations. iteration 1074: trace = 2.412629805217475 (8.3744e-09% change) linmin: converged after 23 iterations. iteration 1075: trace = 2.412629804859759 (1.48268e-08% change) linmin: converged after 23 iterations. iteration 1076: trace = 2.41262980478039 (3.28971e-09% change) large trace change predicted (1.52698e-08%) linmin: converged after 4 iterations. iteration 1077: trace = 2.412629804411993 (1.52695e-08% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.412629803835411 (2.38985e-08% change) linmin: converged after 6 iterations. iteration 1079: trace = 2.412629803550236 (1.18201e-08% change) large trace change predicted (2.64073e-08%) linmin: converged after 8 iterations. iteration 1080: trace = 2.412629802913144 (2.64065e-08% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.412629802405484 (2.10418e-08% change) linmin: converged after 20 iterations. iteration 1082: trace = 2.412629802054365 (1.45534e-08% change) large trace change predicted (4.85807e-08%) linmin: converged after 23 iterations. iteration 1083: trace = 2.412629800882364 (4.85777e-08% change) linmin: converged after 5 iterations. iteration 1084: trace = 2.412629799571856 (5.43187e-08% change) linmin: converged after 3 iterations. iteration 1085: trace = 2.412629799288416 (1.17482e-08% change) large trace change predicted (2.53772e-08%) linmin: converged after 4 iterations. iteration 1086: trace = 2.41262979867617 (2.53767e-08% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.412629798155509 (2.15807e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.412629797977812 (7.36526e-09% change) large trace change predicted (1.71152e-08%) linmin: converged after 3 iterations. iteration 1089: trace = 2.412629797564891 (1.7115e-08% change) linmin: converged after 3 iterations. iteration 1090: trace = 2.412629797236036 (1.36306e-08% change) linmin: converged after 5 iterations. iteration 1091: trace = 2.412629797146127 (3.72658e-09% change) large trace change predicted (1.66429e-08%) linmin: converged after 8 iterations. iteration 1092: trace = 2.412629796744604 (1.66426e-08% change) linmin: converged after 16 iterations. iteration 1093: trace = 2.412629796597781 (6.08562e-09% change) linmin: converged after 9 iterations. iteration 1094: trace = 2.412629796528624 (2.86644e-09% change) large trace change predicted (1.32146e-08%) linmin: converged after 4 iterations. iteration 1095: trace = 2.412629796209809 (1.32144e-08% change) linmin: converged after 13 iterations. iteration 1096: trace = 2.412629796050501 (6.60307e-09% change) large trace change predicted (1.37413e-08%) linmin: converged after 3 iterations. iteration 1097: trace = 2.412629795718977 (1.37412e-08% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.412629795455784 (1.0909e-08% change) linmin: converged after 5 iterations. iteration 1099: trace = 2.412629795325347 (5.40642e-09% change) large trace change predicted (1.40822e-08%) linmin: converged after 3 iterations. iteration 1100: trace = 2.412629794985595 (1.40822e-08% change) linmin: converged after 4 iterations. iteration 1101: trace = 2.412629794618395 (1.52199e-08% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.412629794427571 (7.90941e-09% change) large trace change predicted (3.37841e-08%) linmin: converged after 3 iterations. iteration 1103: trace = 2.412629793612483 (3.37842e-08% change) linmin: converged after 8 iterations. iteration 1104: trace = 2.412629792683634 (3.84995e-08% change) linmin: converged after 4 iterations. iteration 1105: trace = 2.412629792271863 (1.70673e-08% change) linmin: converged after 4 iterations. iteration 1106: trace = 2.412629791561477 (2.94445e-08% change) linmin: converged after 16 iterations. iteration 1107: trace = 2.412629790214044 (5.58491e-08% change) linmin: converged after 7 iterations. iteration 1108: trace = 2.412629789960863 (1.0494e-08% change) large trace change predicted (3.90288e-08%) linmin: converged after 16 iterations. iteration 1109: trace = 2.412629789019225 (3.90295e-08% change) linmin: converged after 4 iterations. iteration 1110: trace = 2.412629788842335 (7.33182e-09% change) large trace change predicted (2.1421e-08%) linmin: converged after 9 iterations. iteration 1111: trace = 2.412629788325511 (2.14216e-08% change) linmin: converged after 3 iterations. iteration 1112: trace = 2.412629788037764 (1.19267e-08% change) linmin: converged after 3 iterations. iteration 1113: trace = 2.412629787803015 (9.73003e-09% change) linmin: converged after 23 iterations. iteration 1114: trace = 2.412629787699538 (4.28898e-09% change) large trace change predicted (1.3443e-08%) linmin: converged after 3 iterations. iteration 1115: trace = 2.412629787375206 (1.34431e-08% change) linmin: converged after 21 iterations. iteration 1116: trace = 2.412629787276294 (4.09974e-09% change) large trace change predicted (1.2001e-08%) linmin: converged after 24 iterations. iteration 1117: trace = 2.412629786986755 (1.2001e-08% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.412629786748777 (9.86386e-09% change) linmin: converged after 3 iterations. iteration 1119: trace = 2.412629786292433 (1.89148e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.412629785848988 (1.83802e-08% change) linmin: converged after 3 iterations. iteration 1121: trace = 2.412629785623657 (9.33966e-09% change) linmin: converged after 10 iterations. iteration 1122: trace = 2.412629785396949 (9.39672e-09% change) linmin: converged after 3 iterations. iteration 1123: trace = 2.412629785252847 (5.9728e-09% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.412629784965543 (1.19083e-08% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.412629784894571 (2.94171e-09% change) large trace change predicted (8.94799e-09%) linmin: converged after 3 iterations. iteration 1126: trace = 2.412629784678686 (8.9481e-09% change) linmin: converged after 3 iterations. iteration 1127: trace = 2.412629784418998 (1.07637e-08% change) linmin: converged after 41 iterations. iteration 1128: trace = 2.412629784294783 (5.14854e-09% change) large trace change predicted (2.05222e-08%) linmin: converged after 7 iterations. iteration 1129: trace = 2.412629783799666 (2.05219e-08% change) linmin: converged after 4 iterations. iteration 1130: trace = 2.412629783217858 (2.41151e-08% change) linmin: converged after 5 iterations. iteration 1131: trace = 2.412629782905474 (1.29479e-08% change) large trace change predicted (3.93323e-08%) linmin: converged after 15 iterations. iteration 1132: trace = 2.412629781956552 (3.93314e-08% change) linmin: converged after 10 iterations. iteration 1133: trace = 2.4126297814223 (2.2144e-08% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.412629781139761 (1.17108e-08% change) large trace change predicted (3.70881e-08%) linmin: converged after 34 iterations. iteration 1135: trace = 2.412629780244971 (3.70877e-08% change) linmin: converged after 4 iterations. iteration 1136: trace = 2.412629779825604 (1.73822e-08% change) linmin: converged after 4 iterations. iteration 1137: trace = 2.412629779584773 (9.98207e-09% change) linmin: converged after 2 iterations. iteration 1138: trace = 2.412629779380671 (8.45973e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.412629779150927 (9.52255e-09% change) linmin: converged after 4 iterations. iteration 1140: trace = 2.412629779034004 (4.8463e-09% change) linmin: converged after 13 iterations. iteration 1141: trace = 2.412629778809317 (9.31293e-09% change) linmin: converged after 3 iterations. iteration 1142: trace = 2.412629778738212 (2.94723e-09% change) large trace change predicted (9.6957e-09%) linmin: converged after 3 iterations. iteration 1143: trace = 2.41262977850429 (9.69572e-09% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.412629778404162 (4.15014e-09% change) linmin: converged after 3 iterations. iteration 1145: trace = 2.412629778242337 (6.70742e-09% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.412629778178061 (2.66417e-09% change) large trace change predicted (1.13094e-08%) linmin: converged after 25 iterations. iteration 1147: trace = 2.4126297779052 (1.13097e-08% change) linmin: converged after 3 iterations. iteration 1148: trace = 2.412629777850719 (2.25815e-09% change) large trace change predicted (5.19724e-09%) linmin: converged after 4 iterations. iteration 1149: trace = 2.412629777725329 (5.19723e-09% change) linmin: converged after 15 iterations. iteration 1150: trace = 2.412629777488554 (9.81398e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.412629777262293 (9.37822e-09% change) linmin: converged after 13 iterations. iteration 1152: trace = 2.412629777117201 (6.01385e-09% change) large trace change predicted (1.93871e-08%) linmin: converged after 6 iterations. iteration 1153: trace = 2.412629776649447 (1.93877e-08% change) linmin: converged after 28 iterations. iteration 1154: trace = 2.412629776527586 (5.05097e-09% change) large trace change predicted (3.11949e-08%) linmin: converged after 25 iterations. iteration 1155: trace = 2.412629775774925 (3.11967e-08% change) linmin: converged after 4 iterations. iteration 1156: trace = 2.412629775365852 (1.69555e-08% change) linmin: converged after 4 iterations. iteration 1157: trace = 2.412629774918892 (1.85259e-08% change) linmin: converged after 4 iterations. iteration 1158: trace = 2.412629774657288 (1.08431e-08% change) linmin: converged after 3 iterations. iteration 1159: trace = 2.412629774194538 (1.91803e-08% change) linmin: converged after 23 iterations. iteration 1160: trace = 2.412629774146317 (1.99871e-09% change) large trace change predicted (8.86743e-09%) linmin: converged after 12 iterations. iteration 1161: trace = 2.412629773932376 (8.86752e-09% change) linmin: converged after 33 iterations. iteration 1162: trace = 2.412629773774357 (6.54969e-09% change) linmin: converged after 3 iterations. iteration 1163: trace = 2.412629773728515 (1.90007e-09% change) large trace change predicted (5.67544e-09%) linmin: converged after 4 iterations. iteration 1164: trace = 2.41262977359159 (5.67535e-09% change) linmin: converged after 5 iterations. iteration 1165: trace = 2.412629773436491 (6.42861e-09% change) linmin: converged after 7 iterations. iteration 1166: trace = 2.412629773390932 (1.88836e-09% change) large trace change predicted (7.66799e-09%) linmin: converged after 3 iterations. iteration 1167: trace = 2.412629773205932 (7.668e-09% change) linmin: converged after 19 iterations. iteration 1168: trace = 2.412629773149117 (2.3549e-09% change) linmin: converged after 4 iterations. iteration 1169: trace = 2.412629773119786 (1.2157e-09% change) large trace change predicted (6.37928e-09%) linmin: converged after 4 iterations. iteration 1170: trace = 2.412629772965878 (6.37926e-09% change) linmin: converged after 26 iterations. iteration 1171: trace = 2.412629772928143 (1.56407e-09% change) large trace change predicted (7.14913e-09%) linmin: converged after 19 iterations. iteration 1172: trace = 2.412629772755665 (7.14898e-09% change) linmin: converged after 5 iterations. iteration 1173: trace = 2.412629772634329 (5.02918e-09% change) linmin: converged after 5 iterations. iteration 1174: trace = 2.412629772553549 (3.34822e-09% change) large trace change predicted (8.31988e-09%) linmin: converged after 6 iterations. iteration 1175: trace = 2.412629772352822 (8.31984e-09% change) linmin: converged after 4 iterations. iteration 1176: trace = 2.412629772014664 (1.40162e-08% change) linmin: converged after 26 iterations. iteration 1177: trace = 2.412629771917082 (4.04465e-09% change) large trace change predicted (2.20423e-08%) linmin: converged after 4 iterations. iteration 1178: trace = 2.412629771385287 (2.20421e-08% change) linmin: converged after 26 iterations. iteration 1179: trace = 2.412629771082309 (1.2558e-08% change) linmin: converged after 2 iterations. iteration 1180: trace = 2.412629770824299 (1.06941e-08% change) linmin: converged after 3 iterations. iteration 1181: trace = 2.412629770583826 (9.96722e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.412629770466926 (4.84536e-09% change) linmin: converged after 7 iterations. iteration 1183: trace = 2.412629770326081 (5.83781e-09% change) linmin: converged after 18 iterations. iteration 1184: trace = 2.412629770093298 (9.64852e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.412629770026122 (2.78435e-09% change) linmin: converged after 3 iterations. iteration 1186: trace = 2.412629769941639 (3.50168e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.412629769861093 (3.33854e-09% change) linmin: converged after 3 iterations. iteration 1188: trace = 2.412629769830064 (1.28607e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.412629769788242 (1.73347e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1190: trace = 2.412629769748404 (1.65126e-09% change) linmin: converged after 3 iterations. iteration 1191: trace = 2.412629769719834 (1.18415e-09% change) large trace change predicted (3.31441e-09%) linmin: converged after 19 iterations. iteration 1192: trace = 2.41262976963987 (3.31439e-09% change) linmin: converged after 2 iterations. iteration 1193: trace = 2.412629769587001 (2.19137e-09% change) linmin: converged after 20 iterations. iteration 1194: trace = 2.412629769497466 (3.71108e-09% change) linmin: converged after 5 iterations. iteration 1195: trace = 2.412629769344929 (6.32244e-09% change) linmin: converged after 19 iterations. iteration 1196: trace = 2.412629769274844 (2.90493e-09% change) linmin: converged after 4 iterations. iteration 1197: trace = 2.412629769167316 (4.45685e-09% change) large trace change predicted (1.20284e-08%) linmin: converged after 4 iterations. iteration 1198: trace = 2.412629768877114 (1.20285e-08% change) linmin: converged after 6 iterations. iteration 1199: trace = 2.412629768796037 (3.36054e-09% change) large trace change predicted (1.92599e-08%) linmin: converged after 13 iterations. iteration 1200: trace = 2.412629768331363 (1.926e-08% change) linmin: converged after 25 iterations. iteration 1201: trace = 2.41262976801378 (1.31634e-08% change) linmin: converged after 18 iterations. iteration 1202: trace = 2.41262976784906 (6.8274e-09% change) linmin: converged after 3 iterations. iteration 1203: trace = 2.412629767635065 (8.86977e-09% change) linmin: converged after 4 iterations. iteration 1204: trace = 2.412629767491865 (5.93546e-09% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.412629767384182 (4.46328e-09% change) linmin: converged after 4 iterations. iteration 1206: trace = 2.412629767223459 (6.66173e-09% change) linmin: converged after 3 iterations. iteration 1207: trace = 2.412629767172048 (2.13094e-09% change) large trace change predicted (4.28805e-09%) linmin: converged after 25 iterations. iteration 1208: trace = 2.412629767068592 (4.2881e-09% change) linmin: converged after 6 iterations. iteration 1209: trace = 2.412629767018007 (2.09665e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.412629766926253 (3.80308e-09% change) linmin: converged after 15 iterations. iteration 1211: trace = 2.412629766896727 (1.2238e-09% change) large trace change predicted (5.36684e-09%) linmin: converged after 24 iterations. iteration 1212: trace = 2.412629766767248 (5.36674e-09% change) linmin: converged after 4 iterations. iteration 1213: trace = 2.412629766734905 (1.34057e-09% change) large trace change predicted (2.70327e-09%) linmin: converged after 4 iterations. iteration 1214: trace = 2.412629766669687 (2.70319e-09% change) large trace change predicted (5.64749e-09%) linmin: converged after 9 iterations. iteration 1215: trace = 2.412629766533433 (5.64754e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.412629766508651 (1.02718e-09% change) large trace change predicted (5.54056e-09%) linmin: converged after 4 iterations. iteration 1217: trace = 2.412629766374981 (5.54043e-09% change) linmin: converged after 4 iterations. iteration 1218: trace = 2.412629766231579 (5.94381e-09% change) linmin: converged after 24 iterations. iteration 1219: trace = 2.412629766176944 (2.26454e-09% change) large trace change predicted (5.33296e-09%) linmin: converged after 3 iterations. iteration 1220: trace = 2.412629766048279 (5.33294e-09% change) large trace change predicted (1.31523e-08%) linmin: converged after 3 iterations. iteration 1221: trace = 2.412629765730969 (1.3152e-08% change) linmin: converged after 4 iterations. iteration 1222: trace = 2.412629765492582 (9.8808e-09% change) linmin: converged after 38 iterations. iteration 1223: trace = 2.412629765145416 (1.43895e-08% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.412629764765214 (1.57588e-08% change) linmin: converged after 14 iterations. iteration 1225: trace = 2.412629764609337 (6.4609e-09% change) linmin: converged after 3 iterations. iteration 1226: trace = 2.412629764394798 (8.89231e-09% change) linmin: converged after 9 iterations. iteration 1227: trace = 2.412629764162322 (9.63578e-09% change) linmin: converged after 4 iterations. iteration 1228: trace = 2.412629764020966 (5.85899e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.412629763948705 (2.99514e-09% change) linmin: converged after 19 iterations. iteration 1230: trace = 2.412629763820925 (5.2963e-09% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.412629763746147 (3.09942e-09% change) linmin: converged after 13 iterations. iteration 1232: trace = 2.412629763688642 (2.3835e-09% change) linmin: converged after 6 iterations. iteration 1233: trace = 2.412629763615511 (3.03117e-09% change) linmin: converged after 6 iterations. iteration 1234: trace = 2.412629763533967 (3.3799e-09% change) linmin: converged after 4 iterations. iteration 1235: trace = 2.412629763483325 (2.09901e-09% change) large trace change predicted (6.53479e-09%) linmin: converged after 3 iterations. iteration 1236: trace = 2.412629763325664 (6.53484e-09% change) linmin: converged after 33 iterations. iteration 1237: trace = 2.412629763303096 (9.35399e-10% change) large trace change predicted (4.50275e-09%) linmin: converged after 22 iterations. iteration 1238: trace = 2.412629763194457 (4.50292e-09% change) linmin: converged after 7 iterations. iteration 1239: trace = 2.412629763082278 (4.64968e-09% change) linmin: converged after 26 iterations. iteration 1240: trace = 2.412629763036044 (1.9163e-09% change) large trace change predicted (4.92078e-09%) linmin: converged after 18 iterations. iteration 1241: trace = 2.412629762917325 (4.92076e-09% change) linmin: converged after 4 iterations. iteration 1242: trace = 2.412629762682696 (9.725e-09% change) linmin: converged after 10 iterations. iteration 1243: trace = 2.412629762592304 (3.74664e-09% change) large trace change predicted (1.75923e-08%) linmin: converged after 8 iterations. iteration 1244: trace = 2.412629762167861 (1.75925e-08% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.4126297620757 (3.81996e-09% change) large trace change predicted (9.87021e-09%) linmin: converged after 4 iterations. iteration 1246: trace = 2.412629761837568 (9.87023e-09% change) large trace change predicted (2.09998e-08%) linmin: converged after 31 iterations. iteration 1247: trace = 2.412629761330913 (2.10001e-08% change) linmin: converged after 4 iterations. iteration 1248: trace = 2.412629761106383 (9.30643e-09% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.412629760964092 (5.89778e-09% change) linmin: converged after 26 iterations. iteration 1250: trace = 2.412629760743328 (9.15032e-09% change) linmin: converged after 16 iterations. iteration 1251: trace = 2.412629760697433 (1.90227e-09% change) linmin: converged after 32 iterations. iteration 1252: trace = 2.412629760613019 (3.49887e-09% change) linmin: converged after 7 iterations. iteration 1253: trace = 2.41262976052164 (3.78752e-09% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.412629760448013 (3.05171e-09% change) linmin: converged after 5 iterations. iteration 1255: trace = 2.412629760396692 (2.12719e-09% change) large trace change predicted (5.52559e-09%) linmin: converged after 20 iterations. iteration 1256: trace = 2.412629760263379 (5.52565e-09% change) linmin: converged after 3 iterations. iteration 1257: trace = 2.412629760231685 (1.31368e-09% change) large trace change predicted (7.23674e-09%) linmin: converged after 20 iterations. iteration 1258: trace = 2.412629760057085 (7.23691e-09% change) large trace change predicted (1.10329e-07%) linmin: converged after 4 iterations. iteration 1259: trace = 2.412629757394972 (1.10341e-07% change) resetting CG direction... linmin: converged after 31 iterations. iteration 1260: trace = 2.412629756145485 (5.17894e-08% change) linmin: converged after 3 iterations. iteration 1261: trace = 2.412629755522189 (2.58347e-08% change) linmin: converged after 4 iterations. iteration 1262: trace = 2.412629755420031 (4.23429e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.412629755311408 (4.50228e-09% change) linmin: converged after 31 iterations. iteration 1264: trace = 2.412629755139941 (7.10707e-09% change) linmin: converged after 2 iterations. iteration 1265: trace = 2.412629755127741 (5.05673e-10% change) large trace change predicted (4.14563e-09%) linmin: converged after 2 iterations. iteration 1266: trace = 2.412629755027722 (4.14565e-09% change) linmin: converged after 28 iterations. iteration 1267: trace = 2.412629754993594 (1.41453e-09% change) linmin: converged after 7 iterations. iteration 1268: trace = 2.412629754977538 (6.655e-10% change) large trace change predicted (3.01768e-09%) linmin: converged after 3 iterations. iteration 1269: trace = 2.412629754904733 (3.01767e-09% change) linmin: converged after 26 iterations. iteration 1270: trace = 2.412629754855381 (2.04555e-09% change) linmin: converged after 8 iterations. iteration 1271: trace = 2.412629754793346 (2.57125e-09% change) large trace change predicted (6.44622e-09%) linmin: converged after 6 iterations. iteration 1272: trace = 2.412629754637826 (6.4461e-09% change) linmin: converged after 4 iterations. iteration 1273: trace = 2.412629754580816 (2.36298e-09% change) linmin: converged after 4 iterations. iteration 1274: trace = 2.412629754519073 (2.55914e-09% change) large trace change predicted (6.61425e-09%) linmin: converged after 18 iterations. iteration 1275: trace = 2.412629754359497 (6.61423e-09% change) linmin: converged after 4 iterations. iteration 1276: trace = 2.412629754255988 (4.29027e-09% change) linmin: converged after 3 iterations. iteration 1277: trace = 2.412629754117463 (5.74165e-09% change) linmin: converged after 3 iterations. iteration 1278: trace = 2.412629753994368 (5.10212e-09% change) linmin: converged after 6 iterations. iteration 1279: trace = 2.412629753928176 (2.74358e-09% change) linmin: converged after 3 iterations. iteration 1280: trace = 2.41262975382433 (4.30426e-09% change) linmin: converged after 2 iterations. iteration 1281: trace = 2.412629753688581 (5.62661e-09% change) linmin: converged after 16 iterations. iteration 1282: trace = 2.412629753664304 (1.00625e-09% change) large trace change predicted (3.85085e-09%) linmin: converged after 15 iterations. iteration 1283: trace = 2.412629753571395 (3.85093e-09% change) linmin: converged after 4 iterations. iteration 1284: trace = 2.41262975351645 (2.27739e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.412629753499298 (7.10909e-10% change) linmin: converged after 15 iterations. iteration 1286: trace = 2.41262975346662 (1.35449e-09% change) linmin: converged after 3 iterations. iteration 1287: trace = 2.412629753416082 (2.0947e-09% change) linmin: converged after 4 iterations. iteration 1288: trace = 2.412629753405603 (4.34347e-10% change) large trace change predicted (1.54026e-09%) linmin: converged after 18 iterations. iteration 1289: trace = 2.412629753368441 (1.54032e-09% change) linmin: converged after 3 iterations. iteration 1290: trace = 2.412629753361718 (2.78661e-10% change) large trace change predicted (9.30624e-10%) linmin: converged after 13 iterations. iteration 1291: trace = 2.412629753339264 (9.30687e-10% change) large trace change predicted (2.39756e-09%) linmin: converged after 5 iterations. iteration 1292: trace = 2.412629753281419 (2.39758e-09% change) linmin: converged after 13 iterations. iteration 1293: trace = 2.412629753266869 (6.03064e-10% change) large trace change predicted (4.52078e-09%) linmin: converged after 4 iterations. iteration 1294: trace = 2.4126297531578 (4.52076e-09% change) linmin: converged after 6 iterations. iteration 1295: trace = 2.412629753018132 (5.78903e-09% change) linmin: converged after 3 iterations. iteration 1296: trace = 2.412629752936917 (3.36625e-09% change) linmin: converged after 5 iterations. iteration 1297: trace = 2.412629752886115 (2.10567e-09% change) large trace change predicted (5.0815e-09%) linmin: converged after 30 iterations. iteration 1298: trace = 2.412629752763515 (5.0816e-09% change) linmin: converged after 8 iterations. iteration 1299: trace = 2.412629752690727 (3.01698e-09% change) linmin: converged after 38 iterations. iteration 1300: trace = 2.412629752592583 (4.0679e-09% change) linmin: converged after 18 iterations. iteration 1301: trace = 2.412629752489281 (4.28173e-09% change) linmin: converged after 4 iterations. iteration 1302: trace = 2.412629752471359 (7.42845e-10% change) large trace change predicted (2.44872e-09%) linmin: converged after 28 iterations. iteration 1303: trace = 2.41262975241228 (2.44876e-09% change) linmin: converged after 4 iterations. iteration 1304: trace = 2.412629752376628 (1.4777e-09% change) linmin: converged after 3 iterations. iteration 1305: trace = 2.412629752357191 (8.0565e-10% change) large trace change predicted (2.63898e-09%) linmin: converged after 9 iterations. iteration 1306: trace = 2.412629752293523 (2.63894e-09% change) linmin: converged after 23 iterations. iteration 1307: trace = 2.412629752241498 (2.15634e-09% change) linmin: converged after 2 iterations. iteration 1308: trace = 2.412629752229971 (4.77805e-10% change) large trace change predicted (1.61003e-09%) linmin: converged after 18 iterations. iteration 1309: trace = 2.412629752191125 (1.61008e-09% change) linmin: converged after 2 iterations. iteration 1310: trace = 2.412629752176672 (5.99069e-10% change) linmin: converged after 12 iterations. iteration 1311: trace = 2.412629752167809 (3.67346e-10% change) linmin: converged after 19 iterations. iteration 1312: trace = 2.41262975215146 (6.77648e-10% change) linmin: converged after 5 iterations. iteration 1313: trace = 2.412629752119543 (1.32294e-09% change) linmin: converged after 17 iterations. iteration 1314: trace = 2.412629752104291 (6.32147e-10% change) large trace change predicted (2.22953e-09%) linmin: converged after 10 iterations. iteration 1315: trace = 2.412629752050501 (2.22953e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.41262975203415 (6.77704e-10% change) large trace change predicted (1.73052e-09%) linmin: converged after 4 iterations. iteration 1317: trace = 2.412629751992398 (1.73058e-09% change) large trace change predicted (3.80022e-09%) linmin: converged after 6 iterations. iteration 1318: trace = 2.412629751900716 (3.80009e-09% change) linmin: converged after 4 iterations. iteration 1319: trace = 2.412629751855262 (1.88398e-09% change) linmin: converged after 19 iterations. iteration 1320: trace = 2.412629751800265 (2.27956e-09% change) large trace change predicted (5.32944e-09%) linmin: converged after 21 iterations. iteration 1321: trace = 2.412629751671685 (5.32946e-09% change) linmin: converged after 8 iterations. iteration 1322: trace = 2.412629751644616 (1.12197e-09% change) linmin: converged after 10 iterations. iteration 1323: trace = 2.412629751601681 (1.77959e-09% change) linmin: converged after 4 iterations. iteration 1324: trace = 2.412629751544592 (2.36626e-09% change) linmin: converged after 12 iterations. iteration 1325: trace = 2.412629751534512 (4.17799e-10% change) large trace change predicted (2.02914e-09%) linmin: converged after 18 iterations. iteration 1326: trace = 2.412629751485556 (2.02913e-09% change) linmin: converged after 12 iterations. iteration 1327: trace = 2.412629751472368 (5.46647e-10% change) linmin: converged after 4 iterations. iteration 1328: trace = 2.412629751465104 (3.01062e-10% change) linmin: converged after 16 iterations. iteration 1329: trace = 2.412629751451304 (5.71993e-10% change) resetting CG direction... linmin: converged after 19 iterations. iteration 1330: trace = 2.412629751441995 (3.85844e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.412629751436322 (2.35148e-10% change) large trace change predicted (4.92008e-10%) linmin: converged after 2 iterations. iteration 1332: trace = 2.41262975142445 (4.92089e-10% change) linmin: converged after 16 iterations. iteration 1333: trace = 2.412629751400893 (9.76392e-10% change) linmin: converged after 10 iterations. iteration 1334: trace = 2.412629751383613 (7.16247e-10% change) large trace change predicted (1.82443e-09%) linmin: converged after 13 iterations. iteration 1335: trace = 2.412629751339598 (1.82434e-09% change) linmin: converged after 6 iterations. iteration 1336: trace = 2.412629751322894 (6.92374e-10% change) large trace change predicted (2.07471e-09%) linmin: converged after 13 iterations. iteration 1337: trace = 2.412629751272838 (2.07475e-09% change) linmin: converged after 14 iterations. iteration 1338: trace = 2.412629751200171 (3.01191e-09% change) linmin: converged after 6 iterations. iteration 1339: trace = 2.412629751172607 (1.14251e-09% change) large trace change predicted (3.35386e-09%) linmin: converged after 11 iterations. iteration 1340: trace = 2.412629751091689 (3.35393e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.412629751009129 (3.42196e-09% change) linmin: converged after 4 iterations. iteration 1342: trace = 2.412629750989969 (7.94182e-10% change) linmin: converged after 4 iterations. iteration 1343: trace = 2.412629750956418 (1.39062e-09% change) linmin: converged after 2 iterations. iteration 1344: trace = 2.412629750895868 (2.50974e-09% change) linmin: converged after 10 iterations. iteration 1345: trace = 2.412629750889071 (2.81717e-10% change) large trace change predicted (1.4371e-09%) linmin: converged after 4 iterations. iteration 1346: trace = 2.412629750854401 (1.43702e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.412629750839396 (6.21912e-10% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.412629750832454 (2.87736e-10% change) linmin: converged after 4 iterations. iteration 1349: trace = 2.412629750819 (5.57672e-10% change) linmin: converged after 5 iterations. iteration 1350: trace = 2.412629750804569 (5.98131e-10% change) linmin: converged after 8 iterations. iteration 1351: trace = 2.412629750799901 (1.93474e-10% change) large trace change predicted (1.77238e-09%) linmin: converged after 17 iterations. iteration 1352: trace = 2.412629750757146 (1.77216e-09% change) linmin: converged after 12 iterations. iteration 1353: trace = 2.412629750720045 (1.53778e-09% change) linmin: converged after 6 iterations. iteration 1354: trace = 2.412629750702059 (7.45478e-10% change) linmin: converged after 4 iterations. iteration 1355: trace = 2.412629750682192 (8.23467e-10% change) linmin: converged after 4 iterations. iteration 1356: trace = 2.412629750651361 (1.27788e-09% change) linmin: converged after 9 iterations. iteration 1357: trace = 2.412629750630569 (8.61827e-10% change) large trace change predicted (2.62029e-09%) linmin: converged after 5 iterations. iteration 1358: trace = 2.412629750567349 (2.62036e-09% change) linmin: converged after 4 iterations. iteration 1359: trace = 2.412629750549673 (7.32648e-10% change) large trace change predicted (3.17057e-09%) linmin: converged after 4 iterations. iteration 1360: trace = 2.412629750473182 (3.17045e-09% change) linmin: converged after 19 iterations. iteration 1361: trace = 2.412629750403901 (2.87158e-09% change) linmin: converged after 21 iterations. iteration 1362: trace = 2.412629750312024 (3.80818e-09% change) linmin: converged after 26 iterations. iteration 1363: trace = 2.412629750243348 (2.84651e-09% change) linmin: converged after 15 iterations. iteration 1364: trace = 2.412629750215733 (1.14459e-09% change) large trace change predicted (2.99681e-09%) linmin: converged after 4 iterations. iteration 1365: trace = 2.412629750143431 (2.99682e-09% change) linmin: converged after 3 iterations. iteration 1366: trace = 2.412629750113363 (1.24629e-09% change) linmin: converged after 4 iterations. iteration 1367: trace = 2.412629750103837 (3.94845e-10% change) large trace change predicted (1.79753e-09%) linmin: converged after 23 iterations. iteration 1368: trace = 2.412629750060469 (1.79754e-09% change) linmin: converged after 6 iterations. iteration 1369: trace = 2.412629750048949 (4.77474e-10% change) linmin: converged after 25 iterations. iteration 1370: trace = 2.412629750032419 (6.85158e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.412629750011623 (8.61956e-10% change) linmin: converged after 14 iterations. iteration 1372: trace = 2.412629750004998 (2.74575e-10% change) large trace change predicted (1.2595e-09%) linmin: converged after 7 iterations. iteration 1373: trace = 2.412629749974613 (1.25945e-09% change) linmin: converged after 2 iterations. iteration 1374: trace = 2.412629749959753 (6.15893e-10% change) linmin: converged after 12 iterations. iteration 1375: trace = 2.412629749952411 (3.04339e-10% change) large trace change predicted (1.64146e-09%) linmin: converged after 12 iterations. iteration 1376: trace = 2.412629749912809 (1.64143e-09% change) linmin: converged after 17 iterations. iteration 1377: trace = 2.412629749904083 (3.61695e-10% change) large trace change predicted (1.53902e-09%) linmin: converged after 5 iterations. iteration 1378: trace = 2.412629749866952 (1.539e-09% change) linmin: converged after 6 iterations. iteration 1379: trace = 2.412629749838286 (1.1882e-09% change) large trace change predicted (2.73749e-09%) linmin: converged after 21 iterations. iteration 1380: trace = 2.412629749772243 (2.73738e-09% change) linmin: converged after 5 iterations. iteration 1381: trace = 2.412629749756631 (6.47075e-10% change) large trace change predicted (3.6325e-09%) linmin: converged after 17 iterations. iteration 1382: trace = 2.41262974966899 (3.63259e-09% change) linmin: converged after 5 iterations. iteration 1383: trace = 2.412629749612043 (2.36038e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.412629749557288 (2.26951e-09% change) linmin: converged after 26 iterations. iteration 1385: trace = 2.412629749493279 (2.65309e-09% change) linmin: converged after 20 iterations. iteration 1386: trace = 2.412629749454938 (1.58919e-09% change) linmin: converged after 10 iterations. iteration 1387: trace = 2.412629749408137 (1.93982e-09% change) linmin: converged after 6 iterations. iteration 1388: trace = 2.412629749327676 (3.33499e-09% change) linmin: converged after 5 iterations. iteration 1389: trace = 2.412629749311012 (6.9068e-10% change) linmin: converged after 7 iterations. iteration 1390: trace = 2.41262974928682 (1.00273e-09% change) linmin: converged after 4 iterations. iteration 1391: trace = 2.412629749274504 (5.10496e-10% change) linmin: converged after 4 iterations. iteration 1392: trace = 2.412629749259505 (6.21655e-10% change) linmin: converged after 18 iterations. iteration 1393: trace = 2.412629749239148 (8.43807e-10% change) linmin: converged after 3 iterations. iteration 1394: trace = 2.412629749215643 (9.7422e-10% change) linmin: converged after 4 iterations. iteration 1395: trace = 2.412629749206566 (3.76254e-10% change) large trace change predicted (2.26574e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.412629749151904 (2.26564e-09% change) large trace change predicted (1.16568e-08%) linmin: converged after 4 iterations. iteration 1397: trace = 2.412629748870666 (1.16569e-08% change) linmin: converged after 4 iterations. iteration 1398: trace = 2.412629748756963 (4.71284e-09% change) large trace change predicted (3.40752e-08%) linmin: converged after 4 iterations. iteration 1399: trace = 2.41262974793485 (3.40754e-08% change) resetting CG direction... linmin: converged after 13 iterations. iteration 1400: trace = 2.412629747609123 (1.35009e-08% change) linmin: converged after 4 iterations. iteration 1401: trace = 2.412629747566691 (1.75876e-09% change) large trace change predicted (6.23889e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.412629747416172 (6.23876e-09% change) linmin: converged after 2 iterations. iteration 1403: trace = 2.412629747346273 (2.89724e-09% change) linmin: converged after 2 iterations. iteration 1404: trace = 2.412629747312993 (1.37941e-09% change) linmin: converged after 6 iterations. iteration 1405: trace = 2.412629747282349 (1.27013e-09% change) linmin: converged after 4 iterations. iteration 1406: trace = 2.412629747241782 (1.68147e-09% change) linmin: converged after 2 iterations. iteration 1407: trace = 2.412629747230548 (4.65638e-10% change) large trace change predicted (1.42629e-09%) linmin: converged after 3 iterations. iteration 1408: trace = 2.412629747196136 (1.42631e-09% change) linmin: converged after 4 iterations. iteration 1409: trace = 2.412629747184705 (4.73811e-10% change) linmin: converged after 12 iterations. iteration 1410: trace = 2.412629747166181 (7.67768e-10% change) linmin: converged after 7 iterations. iteration 1411: trace = 2.412629747155916 (4.25474e-10% change) linmin: converged after 3 iterations. iteration 1412: trace = 2.412629747150669 (2.17495e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.412629747144602 (2.51456e-10% change) linmin: converged after 8 iterations. iteration 1414: trace = 2.412629747134135 (4.3385e-10% change) linmin: converged after 6 iterations. iteration 1415: trace = 2.412629747130711 (1.41898e-10% change) large trace change predicted (6.10392e-10%) linmin: converged after 3 iterations. iteration 1416: trace = 2.412629747115985 (6.10371e-10% change) linmin: converged after 14 iterations. iteration 1417: trace = 2.412629747103849 (5.03022e-10% change) linmin: converged after 7 iterations. iteration 1418: trace = 2.412629747096434 (3.07376e-10% change) large trace change predicted (9.03859e-10%) linmin: converged after 15 iterations. iteration 1419: trace = 2.412629747074628 (9.03795e-10% change) linmin: converged after 4 iterations. iteration 1420: trace = 2.412629747044051 (1.26739e-09% change) linmin: converged after 4 iterations. iteration 1421: trace = 2.412629747036468 (3.14315e-10% change) large trace change predicted (1.66292e-09%) linmin: converged after 10 iterations. iteration 1422: trace = 2.412629746996349 (1.66286e-09% change) linmin: converged after 4 iterations. iteration 1423: trace = 2.412629746985881 (4.33905e-10% change) linmin: converged after 3 iterations. iteration 1424: trace = 2.412629746969449 (6.81054e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.412629746945281 (1.00176e-09% change) linmin: converged after 3 iterations. iteration 1426: trace = 2.412629746929147 (6.68721e-10% change) linmin: converged after 7 iterations. iteration 1427: trace = 2.412629746926041 (1.28719e-10% change) linmin: converged after 4 iterations. iteration 1428: trace = 2.412629746921242 (1.98923e-10% change) linmin: converged after 7 iterations. iteration 1429: trace = 2.412629746912748 (3.52049e-10% change) linmin: converged after 3 iterations. iteration 1430: trace = 2.412629746905693 (2.9243e-10% change) linmin: converged after 4 iterations. iteration 1431: trace = 2.412629746902486 (1.32953e-10% change) large trace change predicted (4.34248e-10%) linmin: converged after 11 iterations. iteration 1432: trace = 2.412629746892007 (4.34328e-10% change) linmin: converged after 13 iterations. iteration 1433: trace = 2.412629746890513 (6.19207e-11% change) Finished solving for bands 1 to 10 after 1433 iterations. tmfreqs:, 2, 0.166667, 0, 0, 0.166667, 0.123306, 0.278292, 0.357366, 0.369461, 0.503797, 0.506642, 0.538217, 0.63557, 0.645595, 0.659431 elapsed time for k point: 16.268218994140625 solve_kpoint (0.333333,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.507713985909253 (1.59188% change) linmin: converged after 4 iterations. iteration 2: trace = 2.485279161564237 (0.898652% change) linmin: converged after 4 iterations. iteration 3: trace = 2.473300433001331 (0.483152% change) linmin: converged after 4 iterations. iteration 4: trace = 2.471538512190564 (0.071263% change) large trace change predicted (0.219371%) linmin: converged after 3 iterations. iteration 5: trace = 2.466059289837871 (0.221939% change) linmin: converged after 4 iterations. iteration 6: trace = 2.464717523270199 (0.0544241% change) linmin: converged after 4 iterations. iteration 7: trace = 2.46363578384327 (0.0438986% change) linmin: converged after 3 iterations. iteration 8: trace = 2.462593076611024 (0.0423329% change) linmin: converged after 4 iterations. iteration 9: trace = 2.462286932461276 (0.0124326% change) linmin: converged after 3 iterations. iteration 10: trace = 2.461752162924051 (0.0217208% change) linmin: converged after 4 iterations. iteration 11: trace = 2.461484370670815 (0.0108787% change) linmin: converged after 3 iterations. iteration 12: trace = 2.461340116065417 (0.00586064% change) large trace change predicted (0.0129832%) linmin: converged after 3 iterations. iteration 13: trace = 2.461019984093813 (0.0130073% change) linmin: converged after 3 iterations. iteration 14: trace = 2.460939639245447 (0.00326475% change) large trace change predicted (0.0070093%) linmin: converged after 3 iterations. iteration 15: trace = 2.460767349107734 (0.00700124% change) linmin: converged after 4 iterations. iteration 16: trace = 2.460655437132787 (0.00454795% change) linmin: converged after 4 iterations. iteration 17: trace = 2.460570973723221 (0.00343262% change) linmin: converged after 3 iterations. iteration 18: trace = 2.460446786303572 (0.00504723% change) linmin: converged after 4 iterations. iteration 19: trace = 2.460369613396028 (0.00313659% change) large trace change predicted (0.00795679%) linmin: converged after 4 iterations. iteration 20: trace = 2.460173576143728 (0.00796811% change) linmin: converged after 4 iterations. iteration 21: trace = 2.459919542489344 (0.0103264% change) linmin: converged after 4 iterations. iteration 22: trace = 2.459712837233604 (0.00840328% change) linmin: converged after 4 iterations. iteration 23: trace = 2.459365499297269 (0.0141221% change) linmin: converged after 3 iterations. iteration 24: trace = 2.459091691742681 (0.0111339% change) linmin: converged after 4 iterations. iteration 25: trace = 2.458658850278316 (0.0176032% change) linmin: converged after 4 iterations. iteration 26: trace = 2.45837578815362 (0.0115135% change) linmin: converged after 4 iterations. iteration 27: trace = 2.458262680161734 (0.00460103% change) large trace change predicted (0.0113358%) linmin: converged after 4 iterations. iteration 28: trace = 2.457986293200407 (0.0112438% change) linmin: converged after 4 iterations. iteration 29: trace = 2.457774366463829 (0.00862234% change) linmin: converged after 4 iterations. iteration 30: trace = 2.457671503282361 (0.0041853% change) linmin: converged after 4 iterations. iteration 31: trace = 2.457500671235163 (0.00695121% change) linmin: converged after 4 iterations. iteration 32: trace = 2.457364690361219 (0.00553345% change) linmin: converged after 4 iterations. iteration 33: trace = 2.457316173045923 (0.00197438% change) large trace change predicted (0.0049619%) linmin: converged after 4 iterations. iteration 34: trace = 2.457194684027967 (0.00494409% change) linmin: converged after 4 iterations. iteration 35: trace = 2.457143235304573 (0.00209382% change) linmin: converged after 4 iterations. iteration 36: trace = 2.457081169049488 (0.00252598% change) linmin: converged after 3 iterations. iteration 37: trace = 2.457025704678373 (0.00225735% change) linmin: converged after 3 iterations. iteration 38: trace = 2.4569835796467 (0.00171449% change) linmin: converged after 3 iterations. iteration 39: trace = 2.456938445896089 (0.00183697% change) linmin: converged after 3 iterations. iteration 40: trace = 2.456868651029056 (0.00284077% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456832201357737 (0.00148359% change) linmin: converged after 3 iterations. iteration 42: trace = 2.456762746387228 (0.00282705% change) linmin: converged after 3 iterations. iteration 43: trace = 2.456633754385877 (0.00525062% change) linmin: converged after 3 iterations. iteration 44: trace = 2.456571978694712 (0.00251468% change) linmin: converged after 3 iterations. iteration 45: trace = 2.456460127600202 (0.00455324% change) large trace change predicted (0.00975227%) linmin: converged after 4 iterations. iteration 46: trace = 2.456217913606074 (0.00986077% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456161011874888 (0.00231667% change) large trace change predicted (0.0100951%) linmin: converged after 4 iterations. iteration 48: trace = 2.455910183905917 (0.0102127% change) linmin: converged after 3 iterations. iteration 49: trace = 2.455766265407017 (0.00586026% change) linmin: converged after 3 iterations. iteration 50: trace = 2.455707449206866 (0.00239505% change) large trace change predicted (0.00907682%) linmin: converged after 3 iterations. iteration 51: trace = 2.455483823273219 (0.00910679% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455406692493493 (0.00314121% change) linmin: converged after 5 iterations. iteration 53: trace = 2.45534500656597 (0.00251228% change) large trace change predicted (0.00508812%) linmin: converged after 3 iterations. iteration 54: trace = 2.455219784774919 (0.0051001% change) linmin: converged after 3 iterations. iteration 55: trace = 2.455179404957257 (0.00164467% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455132067683953 (0.00192808% change) linmin: converged after 3 iterations. iteration 57: trace = 2.455082993179066 (0.00199887% change) linmin: converged after 3 iterations. iteration 58: trace = 2.455065990994846 (0.000692532% change) linmin: converged after 4 iterations. iteration 59: trace = 2.455039195062922 (0.00109146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.45500771118878 (0.00128243% change) linmin: converged after 4 iterations. iteration 61: trace = 2.454994438728737 (0.00054063% change) large trace change predicted (0.00171818%) linmin: converged after 3 iterations. iteration 62: trace = 2.454952189992032 (0.00172094% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454876585849618 (0.00307971% change) linmin: converged after 3 iterations. iteration 64: trace = 2.454854300869789 (0.000907788% change) large trace change predicted (0.00569488%) linmin: converged after 4 iterations. iteration 65: trace = 2.454714694019299 (0.00568713% change) linmin: converged after 3 iterations. iteration 66: trace = 2.454624975040771 (0.00365503% change) linmin: converged after 4 iterations. iteration 67: trace = 2.45457530223749 (0.00202366% change) large trace change predicted (0.0062657%) linmin: converged after 4 iterations. iteration 68: trace = 2.454421988937807 (0.00624622% change) linmin: converged after 3 iterations. iteration 69: trace = 2.454353550269073 (0.00278842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 2.454327016494556 (0.0010811% change) linmin: converged after 3 iterations. iteration 71: trace = 2.454277390885514 (0.00202198% change) linmin: converged after 3 iterations. iteration 72: trace = 2.454243048471604 (0.0013993% change) linmin: converged after 5 iterations. iteration 73: trace = 2.454222272437312 (0.000846539% change) linmin: converged after 9 iterations. iteration 74: trace = 2.454184860170908 (0.00152442% change) linmin: converged after 4 iterations. iteration 75: trace = 2.454170636275528 (0.000579579% change) linmin: converged after 5 iterations. iteration 76: trace = 2.454152682757256 (0.000731554% change) linmin: converged after 5 iterations. iteration 77: trace = 2.454135393107265 (0.000704508% change) linmin: converged after 3 iterations. iteration 78: trace = 2.454127763230099 (0.000310899% change) linmin: converged after 6 iterations. iteration 79: trace = 2.454116641207926 (0.000453198% change) linmin: converged after 3 iterations. iteration 80: trace = 2.454100874828616 (0.000642448% change) linmin: converged after 3 iterations. iteration 81: trace = 2.454095378223422 (0.000223977% change) large trace change predicted (0.000568781%) linmin: converged after 3 iterations. iteration 82: trace = 2.454081421269703 (0.000568723% change) linmin: converged after 3 iterations. iteration 83: trace = 2.454062352865409 (0.000777011% change) linmin: converged after 6 iterations. iteration 84: trace = 2.45405109984487 (0.000458548% change) linmin: converged after 3 iterations. iteration 85: trace = 2.454030977801129 (0.000819955% change) linmin: converged after 5 iterations. iteration 86: trace = 2.454004108702677 (0.0010949% change) linmin: converged after 3 iterations. iteration 87: trace = 2.453991364569639 (0.000519321% change) large trace change predicted (0.00138482%) linmin: converged after 4 iterations. iteration 88: trace = 2.45395739259282 (0.00138437% change) linmin: converged after 6 iterations. iteration 89: trace = 2.453918823166042 (0.00157174% change) linmin: converged after 3 iterations. iteration 90: trace = 2.45389448882618 (0.000991657% change) linmin: converged after 4 iterations. iteration 91: trace = 2.453860285099449 (0.00139386% change) linmin: converged after 4 iterations. iteration 92: trace = 2.453827450047189 (0.00133811% change) linmin: converged after 3 iterations. iteration 93: trace = 2.453820252857478 (0.000293305% change) large trace change predicted (0.0012793%) linmin: converged after 4 iterations. iteration 94: trace = 2.453788863224406 (0.00127922% change) linmin: converged after 4 iterations. iteration 95: trace = 2.453781946499955 (0.00028188% change) large trace change predicted (0.000821764%) linmin: converged after 6 iterations. iteration 96: trace = 2.453761797235113 (0.000821155% change) linmin: converged after 3 iterations. iteration 97: trace = 2.453746361645881 (0.00062906% change) linmin: converged after 3 iterations. iteration 98: trace = 2.453733612248639 (0.00051959% change) linmin: converged after 7 iterations. iteration 99: trace = 2.453727671009575 (0.000242131% change) large trace change predicted (0.000528031%) linmin: converged after 4 iterations. iteration 100: trace = 2.453714712926722 (0.000528099% change) linmin: converged after 4 iterations. iteration 101: trace = 2.453708305626924 (0.000261127% change) linmin: converged after 3 iterations. iteration 102: trace = 2.453701076402193 (0.000294625% change) large trace change predicted (0.00065191%) linmin: converged after 4 iterations. iteration 103: trace = 2.453685087330305 (0.000651633% change) linmin: converged after 3 iterations. iteration 104: trace = 2.453674225179957 (0.000442688% change) large trace change predicted (0.000944268%) linmin: converged after 3 iterations. iteration 105: trace = 2.453651066587232 (0.000943838% change) large trace change predicted (0.00209471%) linmin: converged after 4 iterations. iteration 106: trace = 2.453599505384211 (0.00210143% change) linmin: converged after 5 iterations. iteration 107: trace = 2.453582835442093 (0.00067941% change) large trace change predicted (0.00176196%) linmin: converged after 3 iterations. iteration 108: trace = 2.453539425951453 (0.00176924% change) linmin: converged after 3 iterations. iteration 109: trace = 2.45347778408187 (0.0025124% change) linmin: converged after 4 iterations. iteration 110: trace = 2.453464638519382 (0.000535794% change) large trace change predicted (0.00221849%) linmin: converged after 3 iterations. iteration 111: trace = 2.453410122390943 (0.00222203% change) linmin: converged after 4 iterations. iteration 112: trace = 2.453385543652673 (0.00100182% change) linmin: converged after 3 iterations. iteration 113: trace = 2.453376194131596 (0.000381087% change) large trace change predicted (0.00112562%) linmin: converged after 10 iterations. iteration 114: trace = 2.453348578245827 (0.00112563% change) linmin: converged after 3 iterations. iteration 115: trace = 2.453338345520876 (0.000417093% change) linmin: converged after 6 iterations. iteration 116: trace = 2.453328301306341 (0.000409411% change) linmin: converged after 3 iterations. iteration 117: trace = 2.453315434920004 (0.000524448% change) linmin: converged after 3 iterations. iteration 118: trace = 2.453301865852209 (0.000553093% change) linmin: converged after 3 iterations. iteration 119: trace = 2.453295841849039 (0.000245547% change) large trace change predicted (0.000595206%) linmin: converged after 4 iterations. iteration 120: trace = 2.453281236975756 (0.000595318% change) linmin: converged after 3 iterations. iteration 121: trace = 2.453275432046294 (0.000236619% change) large trace change predicted (0.000476219%) linmin: converged after 3 iterations. iteration 122: trace = 2.453263754904908 (0.000475983% change) linmin: converged after 4 iterations. iteration 123: trace = 2.453247003676034 (0.000682816% change) linmin: converged after 4 iterations. iteration 124: trace = 2.453236665069777 (0.000421426% change) large trace change predicted (0.00103912%) linmin: converged after 3 iterations. iteration 125: trace = 2.453211127274053 (0.00104099% change) linmin: converged after 3 iterations. iteration 126: trace = 2.453161537989081 (0.00202142% change) linmin: converged after 3 iterations. iteration 127: trace = 2.453137345994403 (0.000986161% change) large trace change predicted (0.00307389%) linmin: converged after 3 iterations. iteration 128: trace = 2.453061652253304 (0.00308564% change) linmin: converged after 3 iterations. iteration 129: trace = 2.452970789505381 (0.00370412% change) linmin: converged after 4 iterations. iteration 130: trace = 2.452952081275762 (0.000762679% change) linmin: converged after 3 iterations. iteration 131: trace = 2.452919556217591 (0.00132596% change) linmin: converged after 3 iterations. iteration 132: trace = 2.45289705839666 (0.00091719% change) linmin: converged after 3 iterations. iteration 133: trace = 2.452890291786226 (0.000275862% change) large trace change predicted (0.0012815%) linmin: converged after 3 iterations. iteration 134: trace = 2.45285884203567 (0.00128216% change) linmin: converged after 3 iterations. iteration 135: trace = 2.452842142353985 (0.000680828% change) linmin: converged after 5 iterations. iteration 136: trace = 2.452828597087275 (0.000552229% change) linmin: converged after 4 iterations. iteration 137: trace = 2.452814237817685 (0.000585418% change) linmin: converged after 4 iterations. iteration 138: trace = 2.452797884596636 (0.000666715% change) linmin: converged after 3 iterations. iteration 139: trace = 2.452782688814807 (0.00061953% change) resetting CG direction... linmin: converged after 6 iterations. iteration 140: trace = 2.452772570838299 (0.000412511% change) linmin: converged after 3 iterations. iteration 141: trace = 2.452765277704286 (0.000297343% change) linmin: converged after 3 iterations. iteration 142: trace = 2.452757177275971 (0.000330258% change) linmin: converged after 3 iterations. iteration 143: trace = 2.45275054020818 (0.000270597% change) linmin: converged after 6 iterations. iteration 144: trace = 2.452740078102712 (0.000426547% change) linmin: converged after 3 iterations. iteration 145: trace = 2.452727557207261 (0.000510487% change) linmin: converged after 18 iterations. iteration 146: trace = 2.452721545794444 (0.000245091% change) large trace change predicted (0.000699793%) linmin: converged after 7 iterations. iteration 147: trace = 2.45270438334119 (0.000699733% change) linmin: converged after 4 iterations. iteration 148: trace = 2.452683587709759 (0.000847869% change) linmin: converged after 3 iterations. iteration 149: trace = 2.45267548035887 (0.000330551% change) large trace change predicted (0.000951637%) linmin: converged after 4 iterations. iteration 150: trace = 2.452652194608251 (0.000949407% change) linmin: converged after 5 iterations. iteration 151: trace = 2.452626253195069 (0.00105769% change) linmin: converged after 3 iterations. iteration 152: trace = 2.452610439822919 (0.000644755% change) linmin: converged after 4 iterations. iteration 153: trace = 2.452596637962825 (0.000562743% change) linmin: converged after 7 iterations. iteration 154: trace = 2.452581427899597 (0.000620164% change) linmin: converged after 6 iterations. iteration 155: trace = 2.452577712274604 (0.000151499% change) large trace change predicted (0.000381839%) linmin: converged after 7 iterations. iteration 156: trace = 2.452568349809934 (0.000381741% change) linmin: converged after 4 iterations. iteration 157: trace = 2.452559675257392 (0.000353693% change) linmin: converged after 4 iterations. iteration 158: trace = 2.45255737876787 (9.36365e-05% change) large trace change predicted (0.000272619%) linmin: converged after 4 iterations. iteration 159: trace = 2.45255069313247 (0.000272599% change) linmin: converged after 3 iterations. iteration 160: trace = 2.452546275616604 (0.000180119% change) linmin: converged after 3 iterations. iteration 161: trace = 2.452544527278531 (7.12867e-05% change) large trace change predicted (0.000198491%) linmin: converged after 4 iterations. iteration 162: trace = 2.452539659430474 (0.000198482% change) linmin: converged after 3 iterations. iteration 163: trace = 2.452534999193734 (0.000190017% change) linmin: converged after 5 iterations. iteration 164: trace = 2.452531349661507 (0.000148807% change) linmin: converged after 3 iterations. iteration 165: trace = 2.452525840176924 (0.000224645% change) linmin: converged after 3 iterations. iteration 166: trace = 2.45251659721641 (0.000376876% change) linmin: converged after 3 iterations. iteration 167: trace = 2.452512716096344 (0.000158251% change) large trace change predicted (0.000782672%) linmin: converged after 3 iterations. iteration 168: trace = 2.452493494599059 (0.00078375% change) linmin: converged after 3 iterations. iteration 169: trace = 2.452486808577861 (0.000272622% change) large trace change predicted (0.000588015%) linmin: converged after 3 iterations. iteration 170: trace = 2.452472378944101 (0.000588369% change) linmin: converged after 3 iterations. iteration 171: trace = 2.452455774176158 (0.000677065% change) linmin: converged after 3 iterations. iteration 172: trace = 2.452448229987636 (0.000307618% change) linmin: converged after 3 iterations. iteration 173: trace = 2.452434929310388 (0.000542344% change) linmin: converged after 3 iterations. iteration 174: trace = 2.452422235944708 (0.000517583% change) linmin: converged after 3 iterations. iteration 175: trace = 2.452418708502169 (0.000143835% change) large trace change predicted (0.000386489%) linmin: converged after 3 iterations. iteration 176: trace = 2.452409228696467 (0.00038655% change) linmin: converged after 3 iterations. iteration 177: trace = 2.45240024885704 (0.000366165% change) linmin: converged after 4 iterations. iteration 178: trace = 2.452397991151999 (9.20611e-05% change) large trace change predicted (0.000271156%) linmin: converged after 3 iterations. iteration 179: trace = 2.452391339126951 (0.000271246% change) linmin: converged after 3 iterations. iteration 180: trace = 2.452386970176984 (0.000178151% change) linmin: converged after 3 iterations. iteration 181: trace = 2.452385697130597 (5.19105e-05% change) large trace change predicted (0.000170125%) linmin: converged after 3 iterations. iteration 182: trace = 2.452381525032257 (0.000170124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.452378255486216 (0.000133321% change) linmin: converged after 3 iterations. iteration 184: trace = 2.452377028242287 (5.0043e-05% change) large trace change predicted (0.000164555%) linmin: converged after 3 iterations. iteration 185: trace = 2.452372992755737 (0.000164554% change) linmin: converged after 4 iterations. iteration 186: trace = 2.452368850383033 (0.000168913% change) linmin: converged after 3 iterations. iteration 187: trace = 2.452366912889036 (7.9005e-05% change) large trace change predicted (0.000417383%) linmin: converged after 7 iterations. iteration 188: trace = 2.452356678344031 (0.000417334% change) linmin: converged after 3 iterations. iteration 189: trace = 2.452350276352157 (0.000261055% change) linmin: converged after 4 iterations. iteration 190: trace = 2.452345971237587 (0.000175551% change) large trace change predicted (0.000560503%) linmin: converged after 4 iterations. iteration 191: trace = 2.452332231135114 (0.000560286% change) linmin: converged after 4 iterations. iteration 192: trace = 2.452329110713686 (0.000127243% change) large trace change predicted (0.00045039%) linmin: converged after 3 iterations. iteration 193: trace = 2.452318069706833 (0.000450226% change) linmin: converged after 5 iterations. iteration 194: trace = 2.452310488056405 (0.000309163% change) linmin: converged after 3 iterations. iteration 195: trace = 2.452306394220442 (0.000166938% change) linmin: converged after 5 iterations. iteration 196: trace = 2.452300351418192 (0.000246413% change) linmin: converged after 4 iterations. iteration 197: trace = 2.452293868489042 (0.000264361% change) linmin: converged after 3 iterations. iteration 198: trace = 2.452292566759137 (5.30821e-05% change) large trace change predicted (0.000201454%) linmin: converged after 3 iterations. iteration 199: trace = 2.45228762671193 (0.000201446% change) linmin: converged after 3 iterations. iteration 200: trace = 2.452285322655437 (9.39554e-05% change) linmin: converged after 3 iterations. iteration 201: trace = 2.452284130416469 (4.86175e-05% change) large trace change predicted (0.000116573%) linmin: converged after 3 iterations. iteration 202: trace = 2.452281271627409 (0.000116577% change) linmin: converged after 3 iterations. iteration 203: trace = 2.452278294145548 (0.000121417% change) linmin: converged after 4 iterations. iteration 204: trace = 2.452277204502076 (4.44339e-05% change) large trace change predicted (0.000108693%) linmin: converged after 3 iterations. iteration 205: trace = 2.45227453846246 (0.000108717% change) linmin: converged after 5 iterations. iteration 206: trace = 2.452269291426804 (0.000213966% change) linmin: converged after 3 iterations. iteration 207: trace = 2.452267662169495 (6.64388e-05% change) large trace change predicted (0.000296096%) linmin: converged after 3 iterations. iteration 208: trace = 2.452260396215607 (0.000296296% change) linmin: converged after 3 iterations. iteration 209: trace = 2.45225166485298 (0.000356054% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.452247439278862 (0.000172314% change) linmin: converged after 7 iterations. iteration 211: trace = 2.452239779758671 (0.000312347% change) linmin: converged after 3 iterations. iteration 212: trace = 2.452237367957184 (9.8351e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.452234809025892 (0.000104351% change) linmin: converged after 15 iterations. iteration 214: trace = 2.452231354286834 (0.000140881% change) linmin: converged after 3 iterations. iteration 215: trace = 2.452230005968953 (5.49833e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.452227905128951 (8.56706e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 2.452225535367658 (9.66371e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.452224453689048 (4.41101e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.452222322762348 (8.68977e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.452219719417787 (0.000106163% change) linmin: converged after 3 iterations. iteration 221: trace = 2.452218183218178 (6.26453e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 2.452216459608282 (7.02878e-05% change) large trace change predicted (0.000179911%) linmin: converged after 5 iterations. iteration 223: trace = 2.452212045492919 (0.000180005% change) linmin: converged after 4 iterations. iteration 224: trace = 2.452210586190468 (5.95097e-05% change) large trace change predicted (0.000210216%) linmin: converged after 3 iterations. iteration 225: trace = 2.452205427108979 (0.000210385% change) linmin: converged after 4 iterations. iteration 226: trace = 2.452199607805635 (0.000237309% change) linmin: converged after 5 iterations. iteration 227: trace = 2.452195910523776 (0.000150774% change) linmin: converged after 3 iterations. iteration 228: trace = 2.452193302147046 (0.000106369% change) large trace change predicted (0.000330405%) linmin: converged after 4 iterations. iteration 229: trace = 2.45218519915589 (0.000330439% change) linmin: converged after 7 iterations. iteration 230: trace = 2.45218126004048 (0.000160637% change) linmin: converged after 3 iterations. iteration 231: trace = 2.452177953320755 (0.000134848% change) linmin: converged after 3 iterations. iteration 232: trace = 2.452171855617065 (0.000248665% change) linmin: converged after 4 iterations. iteration 233: trace = 2.452170729833905 (4.59096e-05% change) large trace change predicted (0.000155844%) linmin: converged after 3 iterations. iteration 234: trace = 2.452166905938778 (0.000155939% change) linmin: converged after 3 iterations. iteration 235: trace = 2.452164946747112 (7.98964e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.452163392132787 (6.33976e-05% change) linmin: converged after 3 iterations. iteration 237: trace = 2.452162131133532 (5.1424e-05% change) large trace change predicted (0.000129359%) linmin: converged after 3 iterations. iteration 238: trace = 2.452158958413194 (0.000129385% change) linmin: converged after 3 iterations. iteration 239: trace = 2.452158275174888 (2.78627e-05% change) large trace change predicted (0.00012237%) linmin: converged after 3 iterations. iteration 240: trace = 2.452155274307407 (0.000122377% change) linmin: converged after 9 iterations. iteration 241: trace = 2.452152615587393 (0.000108424% change) linmin: converged after 4 iterations. iteration 242: trace = 2.452151636431322 (3.99305e-05% change) large trace change predicted (0.000164569%) linmin: converged after 12 iterations. iteration 243: trace = 2.452147601355149 (0.000164553% change) linmin: converged after 5 iterations. iteration 244: trace = 2.452144621795718 (0.000121508% change) linmin: converged after 3 iterations. iteration 245: trace = 2.452142412523164 (9.00956e-05% change) large trace change predicted (0.000214265%) linmin: converged after 3 iterations. iteration 246: trace = 2.452137160888456 (0.000214165% change) linmin: converged after 3 iterations. iteration 247: trace = 2.452129275312435 (0.00032158% change) linmin: converged after 6 iterations. iteration 248: trace = 2.452126372462974 (0.000118381% change) large trace change predicted (0.000459561%) linmin: converged after 14 iterations. iteration 249: trace = 2.452115115152491 (0.000459085% change) linmin: converged after 4 iterations. iteration 250: trace = 2.452111763758238 (0.000136674% change) large trace change predicted (0.000297415%) linmin: converged after 19 iterations. iteration 251: trace = 2.452104477533321 (0.000297141% change) linmin: converged after 3 iterations. iteration 252: trace = 2.452100076548783 (0.000179478% change) linmin: converged after 3 iterations. iteration 253: trace = 2.452096031095323 (0.000164979% change) linmin: converged after 5 iterations. iteration 254: trace = 2.452094830732901 (4.89525e-05% change) large trace change predicted (0.000113346%) linmin: converged after 3 iterations. iteration 255: trace = 2.452092051510675 (0.000113341% change) linmin: converged after 5 iterations. iteration 256: trace = 2.452090752207555 (5.29875e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.45208986655014 (3.61185e-05% change) large trace change predicted (0.000100902%) linmin: converged after 8 iterations. iteration 258: trace = 2.452087392480153 (0.000100896% change) linmin: converged after 22 iterations. iteration 259: trace = 2.452086383958461 (4.11291e-05% change) linmin: converged after 5 iterations. iteration 260: trace = 2.452085152469943 (5.02221e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.452082753116231 (9.78496e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.452081334342666 (5.786e-05% change) large trace change predicted (0.000154627%) linmin: converged after 3 iterations. iteration 263: trace = 2.452077542649516 (0.000154632% change) linmin: converged after 4 iterations. iteration 264: trace = 2.452071671681119 (0.000239429% change) linmin: converged after 4 iterations. iteration 265: trace = 2.452069632272992 (8.31709e-05% change) large trace change predicted (0.000180755%) linmin: converged after 5 iterations. iteration 266: trace = 2.452065198993772 (0.000180798% change) linmin: converged after 7 iterations. iteration 267: trace = 2.452056950140556 (0.000336405% change) linmin: converged after 4 iterations. iteration 268: trace = 2.45205409803041 (0.000116315% change) large trace change predicted (0.000275497%) linmin: converged after 3 iterations. iteration 269: trace = 2.452047328173189 (0.00027609% change) linmin: converged after 3 iterations. iteration 270: trace = 2.452040138586268 (0.000293208% change) linmin: converged after 3 iterations. iteration 271: trace = 2.452038580574617 (6.35394e-05% change) large trace change predicted (0.0002236%) linmin: converged after 3 iterations. iteration 272: trace = 2.452033093357528 (0.000223782% change) linmin: converged after 3 iterations. iteration 273: trace = 2.452029212615683 (0.000158266% change) linmin: converged after 3 iterations. iteration 274: trace = 2.452028342406178 (3.54894e-05% change) large trace change predicted (9.60583e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.452025986550546 (9.60779e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.452024019452791 (8.02234e-05% change) linmin: converged after 3 iterations. iteration 277: trace = 2.452023473159935 (2.22793e-05% change) large trace change predicted (0.000123007%) linmin: converged after 5 iterations. iteration 278: trace = 2.452020456805498 (0.000123015% change) linmin: converged after 4 iterations. iteration 279: trace = 2.45201452953042 (0.000241731% change) resetting CG direction... linmin: converged after 4 iterations. iteration 280: trace = 2.452009727461228 (0.000195842% change) linmin: converged after 4 iterations. iteration 281: trace = 2.452007540531449 (8.91893e-05% change) linmin: converged after 5 iterations. iteration 282: trace = 2.452006657649647 (3.60065e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.45200532183798 (5.44783e-05% change) linmin: converged after 3 iterations. iteration 284: trace = 2.452003115505384 (8.99808e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.45200235583181 (3.09818e-05% change) large trace change predicted (8.11842e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.452000366439965 (8.11334e-05% change) linmin: converged after 12 iterations. iteration 287: trace = 2.451996418703733 (0.000161001% change) linmin: converged after 3 iterations. iteration 288: trace = 2.451995334938363 (4.41993e-05% change) large trace change predicted (0.000170194%) linmin: converged after 5 iterations. iteration 289: trace = 2.451991166288022 (0.000170011% change) linmin: converged after 4 iterations. iteration 290: trace = 2.451986280180539 (0.000199271% change) linmin: converged after 4 iterations. iteration 291: trace = 2.451984139544748 (8.73021e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.451980067482785 (0.000166072% change) linmin: converged after 7 iterations. iteration 293: trace = 2.451974677609453 (0.000219817% change) linmin: converged after 3 iterations. iteration 294: trace = 2.45197381669557 (3.5111e-05% change) large trace change predicted (0.000145934%) linmin: converged after 11 iterations. iteration 295: trace = 2.451970240797099 (0.000145838% change) linmin: converged after 4 iterations. iteration 296: trace = 2.451968866179818 (5.60618e-05% change) linmin: converged after 4 iterations. iteration 297: trace = 2.451967957960132 (3.70404e-05% change) linmin: converged after 3 iterations. iteration 298: trace = 2.451966311815795 (6.71357e-05% change) linmin: converged after 16 iterations. iteration 299: trace = 2.451965168062407 (4.66464e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.451964505865855 (2.70068e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.451963500671679 (4.09955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.451962964343065 (2.18734e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.451962083481351 (3.59248e-05% change) large trace change predicted (7.403e-05%) linmin: converged after 3 iterations. iteration 304: trace = 2.451960267768574 (7.40514e-05% change) linmin: converged after 4 iterations. iteration 305: trace = 2.451959240259281 (4.19056e-05% change) linmin: converged after 4 iterations. iteration 306: trace = 2.45195840324676 (3.41365e-05% change) large trace change predicted (9.86787e-05%) linmin: converged after 4 iterations. iteration 307: trace = 2.451955982741342 (9.87173e-05% change) linmin: converged after 3 iterations. iteration 308: trace = 2.451953841268762 (8.73374e-05% change) linmin: converged after 4 iterations. iteration 309: trace = 2.45195130880107 (0.000103284% change) linmin: converged after 3 iterations. iteration 310: trace = 2.451947245150415 (0.000165731% change) linmin: converged after 3 iterations. iteration 311: trace = 2.451945802462522 (5.88385e-05% change) large trace change predicted (0.000140241%) linmin: converged after 5 iterations. iteration 312: trace = 2.451942362711292 (0.000140287% change) linmin: converged after 3 iterations. iteration 313: trace = 2.451939479922509 (0.000117572% change) linmin: converged after 3 iterations. iteration 314: trace = 2.451938683602901 (3.24771e-05% change) large trace change predicted (8.36285e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.451936632622227 (8.36473e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.451935089349582 (6.2941e-05% change) linmin: converged after 3 iterations. iteration 317: trace = 2.451934541920565 (2.23264e-05% change) large trace change predicted (6.49707e-05%) linmin: converged after 4 iterations. iteration 318: trace = 2.451932948678755 (6.4979e-05% change) linmin: converged after 3 iterations. iteration 319: trace = 2.45193165637232 (5.27056e-05% change) linmin: converged after 13 iterations. iteration 320: trace = 2.45193107924358 (2.35377e-05% change) linmin: converged after 4 iterations. iteration 321: trace = 2.451930344007868 (2.9986e-05% change) linmin: converged after 3 iterations. iteration 322: trace = 2.451929427592482 (3.73753e-05% change) linmin: converged after 2 iterations. iteration 323: trace = 2.451929215890909 (8.63408e-06% change) large trace change predicted (3.87992e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.451928264644343 (3.87958e-05% change) linmin: converged after 3 iterations. iteration 325: trace = 2.451927466356714 (3.25575e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.451927088765477 (1.53998e-05% change) large trace change predicted (5.28495e-05%) linmin: converged after 3 iterations. iteration 327: trace = 2.451925793408558 (5.28302e-05% change) linmin: converged after 4 iterations. iteration 328: trace = 2.451924386804797 (5.73673e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.451922993346532 (5.68312e-05% change) linmin: converged after 4 iterations. iteration 330: trace = 2.451921069340289 (7.84693e-05% change) linmin: converged after 3 iterations. iteration 331: trace = 2.451918495340491 (0.000104979% change) linmin: converged after 3 iterations. iteration 332: trace = 2.451917611962545 (3.6028e-05% change) large trace change predicted (9.67494e-05%) linmin: converged after 3 iterations. iteration 333: trace = 2.451915239937596 (9.67417e-05% change) linmin: converged after 7 iterations. iteration 334: trace = 2.451914264872701 (3.97675e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.451913114917563 (4.69003e-05% change) linmin: converged after 4 iterations. iteration 336: trace = 2.451911892528864 (4.98545e-05% change) linmin: converged after 3 iterations. iteration 337: trace = 2.451911121514247 (3.14455e-05% change) linmin: converged after 4 iterations. iteration 338: trace = 2.451910440461843 (2.77764e-05% change) linmin: converged after 18 iterations. iteration 339: trace = 2.451909413734949 (4.18746e-05% change) linmin: converged after 8 iterations. iteration 340: trace = 2.451909198007312 (8.79835e-06% change) large trace change predicted (2.18808e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.451908661399456 (2.18853e-05% change) linmin: converged after 5 iterations. iteration 342: trace = 2.451907853174074 (3.29631e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.451907641293393 (8.64146e-06% change) large trace change predicted (2.56596e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.451907012099088 (2.56614e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.451906446585409 (2.30642e-05% change) linmin: converged after 4 iterations. iteration 346: trace = 2.45190615307573 (1.19707e-05% change) large trace change predicted (5.65781e-05%) linmin: converged after 4 iterations. iteration 347: trace = 2.451904765395973 (5.6596e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.451903258390157 (6.14627e-05% change) linmin: converged after 3 iterations. iteration 349: trace = 2.451902302053553 (3.90039e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.451901444021173 (3.49946e-05% change) linmin: converged after 3 iterations. iteration 351: trace = 2.451900268699934 (4.79351e-05% change) linmin: converged after 3 iterations. iteration 352: trace = 2.451899284761674 (4.01296e-05% change) linmin: converged after 2 iterations. iteration 353: trace = 2.451898802067656 (1.96865e-05% change) linmin: converged after 3 iterations. iteration 354: trace = 2.451898177608482 (2.54684e-05% change) linmin: converged after 2 iterations. iteration 355: trace = 2.45189768562931 (2.00652e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.45189745358336 (9.46393e-06% change) large trace change predicted (2.18607e-05%) linmin: converged after 3 iterations. iteration 357: trace = 2.451896917539232 (2.18624e-05% change) linmin: converged after 4 iterations. iteration 358: trace = 2.451896216910838 (2.8575e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.451896071765771 (5.91971e-06% change) large trace change predicted (2.86503e-05%) linmin: converged after 3 iterations. iteration 360: trace = 2.45189536910911 (2.86577e-05% change) linmin: converged after 4 iterations. iteration 361: trace = 2.451894829568567 (2.2005e-05% change) linmin: converged after 4 iterations. iteration 362: trace = 2.451894548518837 (1.14626e-05% change) large trace change predicted (3.82963e-05%) linmin: converged after 3 iterations. iteration 363: trace = 2.451893609166292 (3.83113e-05% change) linmin: converged after 3 iterations. iteration 364: trace = 2.451892360793373 (5.09147e-05% change) linmin: converged after 3 iterations. iteration 365: trace = 2.451891978130545 (1.56068e-05% change) large trace change predicted (5.50288e-05%) linmin: converged after 3 iterations. iteration 366: trace = 2.451890628136772 (5.50593e-05% change) linmin: converged after 3 iterations. iteration 367: trace = 2.451889379817075 (5.09125e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.451888895783192 (1.97413e-05% change) large trace change predicted (7.53296e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.451887047454882 (7.53839e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.451885659953243 (5.65891e-05% change) linmin: converged after 3 iterations. iteration 371: trace = 2.451885088224141 (2.33179e-05% change) large trace change predicted (5.25593e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.451883799252872 (5.25706e-05% change) linmin: converged after 3 iterations. iteration 373: trace = 2.451882959846034 (3.42352e-05% change) linmin: converged after 2 iterations. iteration 374: trace = 2.451882637851984 (1.31325e-05% change) large trace change predicted (2.6608e-05%) linmin: converged after 4 iterations. iteration 375: trace = 2.451881985403601 (2.66101e-05% change) linmin: converged after 4 iterations. iteration 376: trace = 2.451881666409702 (1.30102e-05% change) linmin: converged after 3 iterations. iteration 377: trace = 2.451881424707288 (9.85783e-06% change) large trace change predicted (2.79728e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.451880738799101 (2.79748e-05% change) linmin: converged after 4 iterations. iteration 379: trace = 2.451880312770379 (1.73756e-05% change) linmin: converged after 2 iterations. iteration 380: trace = 2.451879974325696 (1.38035e-05% change) large trace change predicted (3.59867e-05%) linmin: converged after 4 iterations. iteration 381: trace = 2.451879091948053 (3.59878e-05% change) linmin: converged after 3 iterations. iteration 382: trace = 2.451878586924512 (2.05974e-05% change) linmin: converged after 3 iterations. iteration 383: trace = 2.451877877061793 (2.89518e-05% change) linmin: converged after 3 iterations. iteration 384: trace = 2.451876608742854 (5.17285e-05% change) linmin: converged after 11 iterations. iteration 385: trace = 2.451875767688587 (3.43025e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.451874978478529 (3.2188e-05% change) large trace change predicted (6.86527e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.451873296589411 (6.85961e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.451871469758743 (7.45076e-05% change) linmin: converged after 4 iterations. iteration 389: trace = 2.451870287619347 (4.82138e-05% change) linmin: converged after 4 iterations. iteration 390: trace = 2.451868320179222 (8.02425e-05% change) linmin: converged after 3 iterations. iteration 391: trace = 2.451867693154867 (2.55733e-05% change) linmin: converged after 3 iterations. iteration 392: trace = 2.451866887621613 (3.28539e-05% change) linmin: converged after 8 iterations. iteration 393: trace = 2.451865955401389 (3.80208e-05% change) linmin: converged after 4 iterations. iteration 394: trace = 2.451865719980986 (9.60168e-06% change) large trace change predicted (1.96496e-05%) linmin: converged after 13 iterations. iteration 395: trace = 2.451865238246529 (1.96477e-05% change) linmin: converged after 4 iterations. iteration 396: trace = 2.451864655613975 (2.37628e-05% change) linmin: converged after 5 iterations. iteration 397: trace = 2.4518644474754 (8.48899e-06% change) large trace change predicted (1.99883e-05%) linmin: converged after 3 iterations. iteration 398: trace = 2.451863957428071 (1.99867e-05% change) linmin: converged after 3 iterations. iteration 399: trace = 2.451863487062912 (1.9184e-05% change) linmin: converged after 4 iterations. iteration 400: trace = 2.451863223688848 (1.07418e-05% change) linmin: converged after 3 iterations. iteration 401: trace = 2.451862707241005 (2.10635e-05% change) large trace change predicted (4.31309e-05%) linmin: converged after 3 iterations. iteration 402: trace = 2.451861649539083 (4.31387e-05% change) linmin: converged after 5 iterations. iteration 403: trace = 2.451861281443321 (1.50129e-05% change) large trace change predicted (4.96566e-05%) linmin: converged after 3 iterations. iteration 404: trace = 2.451860063359621 (4.968e-05% change) linmin: converged after 3 iterations. iteration 405: trace = 2.451858706397193 (5.53442e-05% change) linmin: converged after 4 iterations. iteration 406: trace = 2.451858184270854 (2.12951e-05% change) large trace change predicted (7.72358e-05%) linmin: converged after 5 iterations. iteration 407: trace = 2.451856289454036 (7.72809e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.451854717228413 (6.41239e-05% change) linmin: converged after 3 iterations. iteration 409: trace = 2.451854037873246 (2.77078e-05% change) linmin: converged after 3 iterations. iteration 410: trace = 2.451852767897514 (5.17966e-05% change) linmin: converged after 3 iterations. iteration 411: trace = 2.451851776527858 (4.04335e-05% change) linmin: converged after 3 iterations. iteration 412: trace = 2.451851360826138 (1.69546e-05% change) large trace change predicted (4.12842e-05%) linmin: converged after 3 iterations. iteration 413: trace = 2.451850348447989 (4.12904e-05% change) linmin: converged after 4 iterations. iteration 414: trace = 2.451849942354363 (1.65627e-05% change) linmin: converged after 3 iterations. iteration 415: trace = 2.451849601948214 (1.38836e-05% change) linmin: converged after 3 iterations. iteration 416: trace = 2.45184923699037 (1.4885e-05% change) linmin: converged after 3 iterations. iteration 417: trace = 2.4518487558609 (1.96231e-05% change) linmin: converged after 2 iterations. iteration 418: trace = 2.451848412291829 (1.40127e-05% change) large trace change predicted (0.00028451%) linmin: converged after 4 iterations. iteration 419: trace = 2.451841436317626 (0.000284519% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.451838601804798 (0.000115608% change) linmin: converged after 4 iterations. iteration 421: trace = 2.451836909973618 (6.90026e-05% change) linmin: converged after 4 iterations. iteration 422: trace = 2.451835802033676 (4.51882e-05% change) linmin: converged after 5 iterations. iteration 423: trace = 2.451835562032835 (9.78862e-06% change) linmin: converged after 2 iterations. iteration 424: trace = 2.451835215370466 (1.41389e-05% change) linmin: converged after 3 iterations. iteration 425: trace = 2.451834742223461 (1.92977e-05% change) linmin: converged after 2 iterations. iteration 426: trace = 2.451834622123581 (4.89837e-06% change) large trace change predicted (1.53283e-05%) linmin: converged after 5 iterations. iteration 427: trace = 2.451834246408475 (1.53238e-05% change) linmin: converged after 4 iterations. iteration 428: trace = 2.451833755519586 (2.00213e-05% change) linmin: converged after 3 iterations. iteration 429: trace = 2.451833441577055 (1.28044e-05% change) linmin: converged after 4 iterations. iteration 430: trace = 2.451832871304814 (2.3259e-05% change) linmin: converged after 3 iterations. iteration 431: trace = 2.451832128766152 (3.0285e-05% change) linmin: converged after 4 iterations. iteration 432: trace = 2.451831696871643 (1.76152e-05% change) large trace change predicted (4.8364e-05%) linmin: converged after 4 iterations. iteration 433: trace = 2.451830511790898 (4.83345e-05% change) linmin: converged after 3 iterations. iteration 434: trace = 2.451830084932789 (1.74098e-05% change) linmin: converged after 5 iterations. iteration 435: trace = 2.451829718368761 (1.49506e-05% change) large trace change predicted (3.22146e-05%) linmin: converged after 3 iterations. iteration 436: trace = 2.451828928830973 (3.2202e-05% change) linmin: converged after 4 iterations. iteration 437: trace = 2.451828555280068 (1.52356e-05% change) linmin: converged after 4 iterations. iteration 438: trace = 2.451828125337213 (1.75356e-05% change) linmin: converged after 5 iterations. iteration 439: trace = 2.451827555368756 (2.32467e-05% change) linmin: converged after 5 iterations. iteration 440: trace = 2.451827131496278 (1.7288e-05% change) linmin: converged after 4 iterations. iteration 441: trace = 2.451826837456072 (1.19927e-05% change) linmin: converged after 4 iterations. iteration 442: trace = 2.451826425024183 (1.68214e-05% change) linmin: converged after 2 iterations. iteration 443: trace = 2.451826327980715 (3.95801e-06% change) large trace change predicted (9.15843e-06%) linmin: converged after 2 iterations. iteration 444: trace = 2.451826103428814 (9.15856e-06% change) linmin: converged after 2 iterations. iteration 445: trace = 2.451825844898365 (1.05444e-05% change) linmin: converged after 3 iterations. iteration 446: trace = 2.451825711670842 (5.43381e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.451825476833464 (9.57806e-06% change) linmin: converged after 6 iterations. iteration 448: trace = 2.45182523625104 (9.81238e-06% change) linmin: converged after 2 iterations. iteration 449: trace = 2.451825117673762 (4.83629e-06% change) large trace change predicted (1.42353e-05%) linmin: converged after 3 iterations. iteration 450: trace = 2.451824768562432 (1.42388e-05% change) large trace change predicted (2.8499e-05%) linmin: converged after 3 iterations. iteration 451: trace = 2.451824069375237 (2.8517e-05% change) linmin: converged after 2 iterations. iteration 452: trace = 2.451823856700439 (8.67415e-06% change) large trace change predicted (3.26671e-05%) linmin: converged after 4 iterations. iteration 453: trace = 2.451823055413986 (3.26812e-05% change) linmin: converged after 3 iterations. iteration 454: trace = 2.451822534632694 (2.12406e-05% change) linmin: converged after 4 iterations. iteration 455: trace = 2.451822278183291 (1.04595e-05% change) linmin: converged after 3 iterations. iteration 456: trace = 2.451821801070401 (1.94595e-05% change) linmin: converged after 3 iterations. iteration 457: trace = 2.451820979456362 (3.35104e-05% change) linmin: converged after 2 iterations. iteration 458: trace = 2.451820789967071 (7.72851e-06% change) large trace change predicted (1.9624e-05%) linmin: converged after 5 iterations. iteration 459: trace = 2.451820308753132 (1.96268e-05% change) linmin: converged after 4 iterations. iteration 460: trace = 2.451819974130427 (1.36479e-05% change) linmin: converged after 3 iterations. iteration 461: trace = 2.451819876449114 (3.98403e-06% change) large trace change predicted (9.35897e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.451819646985611 (9.35891e-06% change) linmin: converged after 6 iterations. iteration 463: trace = 2.451819501494014 (5.93403e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.451819453452388 (1.95943e-06% change) large trace change predicted (7.48994e-06%) linmin: converged after 3 iterations. iteration 465: trace = 2.451819269819177 (7.48967e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.451819114108615 (6.35082e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.451819017209697 (3.95212e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.451818837296233 (7.33796e-06% change) linmin: converged after 3 iterations. iteration 469: trace = 2.451818602208911 (9.58828e-06% change) linmin: converged after 2 iterations. iteration 470: trace = 2.451818356080005 (1.00386e-05% change) large trace change predicted (2.7634e-05%) linmin: converged after 3 iterations. iteration 471: trace = 2.451817678667935 (2.7629e-05% change) linmin: converged after 3 iterations. iteration 472: trace = 2.451817380165583 (1.21747e-05% change) linmin: converged after 4 iterations. iteration 473: trace = 2.451816898342992 (1.96517e-05% change) linmin: converged after 4 iterations. iteration 474: trace = 2.451816485475382 (1.68393e-05% change) linmin: converged after 3 iterations. iteration 475: trace = 2.4518162779371 (8.46467e-06% change) linmin: converged after 3 iterations. iteration 476: trace = 2.451816045785287 (9.46857e-06% change) linmin: converged after 11 iterations. iteration 477: trace = 2.451815700665402 (1.40761e-05% change) linmin: converged after 2 iterations. iteration 478: trace = 2.451815534090509 (6.79394e-06% change) linmin: converged after 4 iterations. iteration 479: trace = 2.451815426527374 (4.38708e-06% change) large trace change predicted (9.40697e-06%) linmin: converged after 3 iterations. iteration 480: trace = 2.451815195888033 (9.40688e-06% change) linmin: converged after 3 iterations. iteration 481: trace = 2.451815151679409 (1.8031e-06% change) large trace change predicted (6.46819e-06%) linmin: converged after 3 iterations. iteration 482: trace = 2.451814993092279 (6.46815e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.451814898769976 (3.84704e-06% change) linmin: converged after 3 iterations. iteration 484: trace = 2.451814821722924 (3.14245e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.451814729426451 (3.76441e-06% change) large trace change predicted (7.80835e-06%) linmin: converged after 2 iterations. iteration 486: trace = 2.451814537975693 (7.80853e-06% change) linmin: converged after 4 iterations. iteration 487: trace = 2.451814474613091 (2.58431e-06% change) large trace change predicted (8.30426e-06%) linmin: converged after 2 iterations. iteration 488: trace = 2.451814271007475 (8.30428e-06% change) linmin: converged after 2 iterations. iteration 489: trace = 2.451814039280148 (9.45126e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.45181397042017 (2.80853e-06% change) large trace change predicted (6.5636e-06%) linmin: converged after 3 iterations. iteration 491: trace = 2.451813809493573 (6.56357e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.451813652401437 (6.40718e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.451813593204902 (2.4144e-06% change) large trace change predicted (7.02741e-06%) linmin: converged after 2 iterations. iteration 494: trace = 2.451813420904794 (7.02746e-06% change) linmin: converged after 2 iterations. iteration 495: trace = 2.451813311925445 (4.44485e-06% change) linmin: converged after 3 iterations. iteration 496: trace = 2.451813268333645 (1.77794e-06% change) large trace change predicted (4.48681e-06%) linmin: converged after 10 iterations. iteration 497: trace = 2.45181315832615 (4.48678e-06% change) linmin: converged after 6 iterations. iteration 498: trace = 2.451813072051939 (3.51879e-06% change) linmin: converged after 4 iterations. iteration 499: trace = 2.451812990208225 (3.33809e-06% change) linmin: converged after 3 iterations. iteration 500: trace = 2.451812851103136 (5.67356e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.451812701797941 (6.08958e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.451812642402236 (2.42252e-06% change) large trace change predicted (1.08472e-05%) linmin: converged after 3 iterations. iteration 503: trace = 2.451812376423422 (1.08483e-05% change) linmin: converged after 3 iterations. iteration 504: trace = 2.45181219671429 (7.32964e-06% change) linmin: converged after 3 iterations. iteration 505: trace = 2.451812031888245 (6.72262e-06% change) large trace change predicted (1.47998e-05%) linmin: converged after 4 iterations. iteration 506: trace = 2.451811668983072 (1.48015e-05% change) linmin: converged after 3 iterations. iteration 507: trace = 2.451811535793213 (5.4323e-06% change) linmin: converged after 6 iterations. iteration 508: trace = 2.451811302711546 (9.50651e-06% change) large trace change predicted (2.01283e-05%) linmin: converged after 3 iterations. iteration 509: trace = 2.451810809150256 (2.01305e-05% change) linmin: converged after 3 iterations. iteration 510: trace = 2.451810555415283 (1.03489e-05% change) linmin: converged after 4 iterations. iteration 511: trace = 2.451810455292982 (4.08361e-06% change) large trace change predicted (1.04831e-05%) linmin: converged after 3 iterations. iteration 512: trace = 2.451810198235681 (1.04844e-05% change) linmin: converged after 2 iterations. iteration 513: trace = 2.451810123605975 (3.04386e-06% change) large trace change predicted (6.34359e-06%) linmin: converged after 3 iterations. iteration 514: trace = 2.451809968056701 (6.34426e-06% change) linmin: converged after 23 iterations. iteration 515: trace = 2.451809878185027 (3.66552e-06% change) linmin: converged after 2 iterations. iteration 516: trace = 2.45180979173746 (3.52587e-06% change) linmin: converged after 2 iterations. iteration 517: trace = 2.451809703055815 (3.61699e-06% change) linmin: converged after 3 iterations. iteration 518: trace = 2.451809546049716 (6.40368e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.45180944165795 (4.25774e-06% change) linmin: converged after 8 iterations. iteration 520: trace = 2.451809368212193 (2.99557e-06% change) large trace change predicted (8.31118e-06%) linmin: converged after 4 iterations. iteration 521: trace = 2.451809164454754 (8.31049e-06% change) linmin: converged after 5 iterations. iteration 522: trace = 2.451808943771632 (9.00083e-06% change) linmin: converged after 2 iterations. iteration 523: trace = 2.451808847262238 (3.93625e-06% change) large trace change predicted (8.65338e-06%) linmin: converged after 13 iterations. iteration 524: trace = 2.451808635094025 (8.65354e-06% change) linmin: converged after 5 iterations. iteration 525: trace = 2.451808373553239 (1.06673e-05% change) linmin: converged after 3 iterations. iteration 526: trace = 2.451808269918728 (4.22686e-06% change) large trace change predicted (2.52299e-05%) linmin: converged after 3 iterations. iteration 527: trace = 2.451807651595333 (2.52191e-05% change) linmin: converged after 5 iterations. iteration 528: trace = 2.451807165020936 (1.98455e-05% change) linmin: converged after 3 iterations. iteration 529: trace = 2.451807010632332 (6.29693e-06% change) linmin: converged after 3 iterations. iteration 530: trace = 2.451806790750918 (8.96814e-06% change) linmin: converged after 3 iterations. iteration 531: trace = 2.451806587138382 (8.30459e-06% change) linmin: converged after 3 iterations. iteration 532: trace = 2.451806541745118 (1.85142e-06% change) large trace change predicted (7.01143e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.451806369845106 (7.01116e-06% change) linmin: converged after 3 iterations. iteration 534: trace = 2.451806295741114 (3.02242e-06% change) linmin: converged after 7 iterations. iteration 535: trace = 2.451806242803898 (2.15911e-06% change) large trace change predicted (5.33882e-06%) linmin: converged after 4 iterations. iteration 536: trace = 2.451806111903806 (5.33892e-06% change) linmin: converged after 2 iterations. iteration 537: trace = 2.451806065983852 (1.8729e-06% change) large trace change predicted (4.69983e-06%) linmin: converged after 2 iterations. iteration 538: trace = 2.451805950750366 (4.69994e-06% change) linmin: converged after 3 iterations. iteration 539: trace = 2.451805840143377 (4.51125e-06% change) linmin: converged after 3 iterations. iteration 540: trace = 2.451805694770904 (5.9292e-06% change) linmin: converged after 3 iterations. iteration 541: trace = 2.45180551485643 (7.33804e-06% change) linmin: converged after 3 iterations. iteration 542: trace = 2.45180519789092 (1.29278e-05% change) linmin: converged after 5 iterations. iteration 543: trace = 2.451805085639186 (4.57833e-06% change) large trace change predicted (1.22654e-05%) linmin: converged after 3 iterations. iteration 544: trace = 2.451804784802842 (1.227e-05% change) linmin: converged after 4 iterations. iteration 545: trace = 2.45180449718559 (1.17308e-05% change) linmin: converged after 4 iterations. iteration 546: trace = 2.451804345794657 (6.17467e-06% change) linmin: converged after 4 iterations. iteration 547: trace = 2.451804065164666 (1.14459e-05% change) linmin: converged after 3 iterations. iteration 548: trace = 2.451803697266883 (1.50052e-05% change) linmin: converged after 4 iterations. iteration 549: trace = 2.451803507750984 (7.72965e-06% change) linmin: converged after 4 iterations. iteration 550: trace = 2.451803423903701 (3.41982e-06% change) large trace change predicted (9.1367e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.451803199855364 (9.1381e-06% change) linmin: converged after 14 iterations. iteration 552: trace = 2.451803155076162 (1.82638e-06% change) large trace change predicted (4.78125e-06%) linmin: converged after 2 iterations. iteration 553: trace = 2.451803037843257 (4.7815e-06% change) linmin: converged after 3 iterations. iteration 554: trace = 2.451802941600485 (3.92539e-06% change) linmin: converged after 3 iterations. iteration 555: trace = 2.451802840511119 (4.12306e-06% change) linmin: converged after 5 iterations. iteration 556: trace = 2.451802762045059 (3.20034e-06% change) large trace change predicted (1.34886e-05%) linmin: converged after 2 iterations. iteration 557: trace = 2.451802431305149 (1.34897e-05% change) linmin: converged after 4 iterations. iteration 558: trace = 2.451802333627822 (3.9839e-06% change) large trace change predicted (2.98762e-05%) linmin: converged after 4 iterations. iteration 559: trace = 2.451801601086465 (2.98777e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 560: trace = 2.451801153491394 (1.82558e-05% change) linmin: converged after 4 iterations. iteration 561: trace = 2.45180108374121 (2.84485e-06% change) large trace change predicted (1.01516e-05%) linmin: converged after 4 iterations. iteration 562: trace = 2.451800834854224 (1.01512e-05% change) linmin: converged after 3 iterations. iteration 563: trace = 2.451800745417124 (3.64781e-06% change) linmin: converged after 3 iterations. iteration 564: trace = 2.451800646513976 (4.0339e-06% change) linmin: converged after 3 iterations. iteration 565: trace = 2.451800512467677 (5.46726e-06% change) linmin: converged after 2 iterations. iteration 566: trace = 2.451800411762568 (4.10739e-06% change) linmin: converged after 4 iterations. iteration 567: trace = 2.451800347132134 (2.63604e-06% change) large trace change predicted (8.23316e-06%) linmin: converged after 4 iterations. iteration 568: trace = 2.451800145289141 (8.23244e-06% change) linmin: converged after 3 iterations. iteration 569: trace = 2.451800106853036 (1.56767e-06% change) large trace change predicted (5.14584e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.451799980693867 (5.14557e-06% change) linmin: converged after 4 iterations. iteration 571: trace = 2.451799882626001 (3.99983e-06% change) linmin: converged after 5 iterations. iteration 572: trace = 2.451799828486288 (2.20816e-06% change) linmin: converged after 3 iterations. iteration 573: trace = 2.451799727720482 (4.10987e-06% change) linmin: converged after 7 iterations. iteration 574: trace = 2.451799594202265 (5.44572e-06% change) linmin: converged after 16 iterations. iteration 575: trace = 2.451799496038755 (4.00373e-06% change) linmin: converged after 3 iterations. iteration 576: trace = 2.451799318106548 (7.25721e-06% change) linmin: converged after 4 iterations. iteration 577: trace = 2.451799026272029 (1.19029e-05% change) linmin: converged after 2 iterations. iteration 578: trace = 2.451798953869357 (2.95304e-06% change) large trace change predicted (8.88296e-06%) linmin: converged after 4 iterations. iteration 579: trace = 2.451798736137125 (8.88051e-06% change) linmin: converged after 3 iterations. iteration 580: trace = 2.451798579490022 (6.38907e-06% change) linmin: converged after 3 iterations. iteration 581: trace = 2.451798522258595 (2.33426e-06% change) linmin: converged after 7 iterations. iteration 582: trace = 2.451798446005962 (3.11007e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.451798380702826 (2.66348e-06% change) linmin: converged after 10 iterations. iteration 584: trace = 2.451798361601048 (7.79093e-07% change) large trace change predicted (1.6686e-06%) linmin: converged after 12 iterations. iteration 585: trace = 2.451798320687891 (1.6687e-06% change) linmin: converged after 29 iterations. iteration 586: trace = 2.451798269075065 (2.1051e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.451798249597147 (7.94434e-07% change) large trace change predicted (2.10791e-06%) linmin: converged after 2 iterations. iteration 588: trace = 2.451798197910782 (2.1081e-06% change) linmin: converged after 3 iterations. iteration 589: trace = 2.451798103202622 (3.8628e-06% change) linmin: converged after 23 iterations. iteration 590: trace = 2.45179806636828 (1.50234e-06% change) large trace change predicted (6.38346e-06%) linmin: converged after 5 iterations. iteration 591: trace = 2.451797909799967 (6.38586e-06% change) linmin: converged after 3 iterations. iteration 592: trace = 2.451797700825857 (8.5233e-06% change) linmin: converged after 3 iterations. iteration 593: trace = 2.451797650701557 (2.04439e-06% change) large trace change predicted (7.16465e-06%) linmin: converged after 3 iterations. iteration 594: trace = 2.451797474999589 (7.16625e-06% change) linmin: converged after 4 iterations. iteration 595: trace = 2.45179736829139 (4.35224e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.451797306593138 (2.51645e-06% change) large trace change predicted (6.90777e-06%) linmin: converged after 5 iterations. iteration 597: trace = 2.451797137200148 (6.90893e-06% change) linmin: converged after 3 iterations. iteration 598: trace = 2.451797018091173 (4.85803e-06% change) linmin: converged after 3 iterations. iteration 599: trace = 2.451796981007111 (1.51253e-06% change) linmin: converged after 3 iterations. iteration 600: trace = 2.451796914839586 (2.69874e-06% change) linmin: converged after 2 iterations. iteration 601: trace = 2.451796860366236 (2.22177e-06% change) linmin: converged after 16 iterations. iteration 602: trace = 2.45179683762685 (9.27458e-07% change) linmin: converged after 4 iterations. iteration 603: trace = 2.451796807430568 (1.2316e-06% change) linmin: converged after 5 iterations. iteration 604: trace = 2.451796775770115 (1.29132e-06% change) linmin: converged after 6 iterations. iteration 605: trace = 2.451796761812919 (5.69264e-07% change) large trace change predicted (2.80158e-06%) linmin: converged after 3 iterations. iteration 606: trace = 2.451796693126069 (2.80149e-06% change) linmin: converged after 4 iterations. iteration 607: trace = 2.451796637646316 (2.26282e-06% change) linmin: converged after 3 iterations. iteration 608: trace = 2.451796589005789 (1.98387e-06% change) linmin: converged after 17 iterations. iteration 609: trace = 2.45179650894177 (3.26552e-06% change) linmin: converged after 3 iterations. iteration 610: trace = 2.451796416142364 (3.78496e-06% change) linmin: converged after 5 iterations. iteration 611: trace = 2.451796380774903 (1.44251e-06% change) large trace change predicted (3.91269e-06%) linmin: converged after 6 iterations. iteration 612: trace = 2.451796284848199 (3.91251e-06% change) linmin: converged after 17 iterations. iteration 613: trace = 2.451796197580161 (3.55935e-06% change) linmin: converged after 3 iterations. iteration 614: trace = 2.451796159506312 (1.5529e-06% change) large trace change predicted (4.1946e-06%) linmin: converged after 2 iterations. iteration 615: trace = 2.451796056662793 (4.19462e-06% change) linmin: converged after 3 iterations. iteration 616: trace = 2.451796008460974 (1.96598e-06% change) linmin: converged after 4 iterations. iteration 617: trace = 2.451795934751596 (3.00634e-06% change) linmin: converged after 3 iterations. iteration 618: trace = 2.451795871899575 (2.56351e-06% change) linmin: converged after 3 iterations. iteration 619: trace = 2.451795799550017 (2.95088e-06% change) linmin: converged after 4 iterations. iteration 620: trace = 2.451795778367173 (8.63973e-07% change) large trace change predicted (2.31433e-06%) linmin: converged after 3 iterations. iteration 621: trace = 2.45179572162593 (2.31427e-06% change) linmin: converged after 18 iterations. iteration 622: trace = 2.451795708207833 (5.47276e-07% change) linmin: converged after 2 iterations. iteration 623: trace = 2.451795690512415 (7.21733e-07% change) linmin: converged after 2 iterations. iteration 624: trace = 2.451795663740037 (1.09195e-06% change) linmin: converged after 2 iterations. iteration 625: trace = 2.451795636314248 (1.1186e-06% change) linmin: converged after 3 iterations. iteration 626: trace = 2.451795612065196 (9.89032e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.451795578668878 (1.36212e-06% change) linmin: converged after 6 iterations. iteration 628: trace = 2.451795549344755 (1.19603e-06% change) linmin: converged after 3 iterations. iteration 629: trace = 2.45179552683532 (9.1808e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.45179550633759 (8.36029e-07% change) linmin: converged after 3 iterations. iteration 631: trace = 2.451795483086964 (9.4831e-07% change) linmin: converged after 2 iterations. iteration 632: trace = 2.451795454197489 (1.1783e-06% change) linmin: converged after 4 iterations. iteration 633: trace = 2.451795436678621 (7.14532e-07% change) linmin: converged after 2 iterations. iteration 634: trace = 2.451795407830215 (1.17662e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.451795381449867 (1.07596e-06% change) linmin: converged after 3 iterations. iteration 636: trace = 2.45179537268668 (3.57419e-07% change) large trace change predicted (9.79051e-07%) linmin: converged after 2 iterations. iteration 637: trace = 2.45179534868218 (9.79058e-07% change) linmin: converged after 3 iterations. iteration 638: trace = 2.451795308279801 (1.64787e-06% change) linmin: converged after 20 iterations. iteration 639: trace = 2.451795293393064 (6.07177e-07% change) large trace change predicted (2.127e-06%) linmin: converged after 4 iterations. iteration 640: trace = 2.451795241240033 (2.12714e-06% change) linmin: converged after 4 iterations. iteration 641: trace = 2.451795195211573 (1.87734e-06% change) linmin: converged after 4 iterations. iteration 642: trace = 2.451795176314502 (7.70744e-07% change) large trace change predicted (2.72894e-06%) linmin: converged after 3 iterations. iteration 643: trace = 2.451795109405027 (2.729e-06% change) linmin: converged after 2 iterations. iteration 644: trace = 2.451795045225142 (2.61767e-06% change) linmin: converged after 3 iterations. iteration 645: trace = 2.451795018719291 (1.08108e-06% change) large trace change predicted (3.91316e-06%) linmin: converged after 3 iterations. iteration 646: trace = 2.451794922770125 (3.91343e-06% change) linmin: converged after 3 iterations. iteration 647: trace = 2.451794862899225 (2.44192e-06% change) linmin: converged after 5 iterations. iteration 648: trace = 2.451794837946719 (1.01772e-06% change) large trace change predicted (3.91294e-06%) linmin: converged after 19 iterations. iteration 649: trace = 2.451794742003182 (3.9132e-06% change) linmin: converged after 2 iterations. iteration 650: trace = 2.451794686975485 (2.24438e-06% change) linmin: converged after 10 iterations. iteration 651: trace = 2.451794667568173 (7.91555e-07% change) large trace change predicted (2.73197e-06%) linmin: converged after 2 iterations. iteration 652: trace = 2.451794600583064 (2.73208e-06% change) linmin: converged after 2 iterations. iteration 653: trace = 2.451794557844939 (1.74314e-06% change) linmin: converged after 4 iterations. iteration 654: trace = 2.451794543115632 (6.00756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.451794522327706 (8.47866e-07% change) linmin: converged after 5 iterations. iteration 656: trace = 2.451794492486638 (1.21711e-06% change) linmin: converged after 3 iterations. iteration 657: trace = 2.451794485169604 (2.98436e-07% change) large trace change predicted (1.75868e-06%) linmin: converged after 2 iterations. iteration 658: trace = 2.451794442048696 (1.75875e-06% change) linmin: converged after 7 iterations. iteration 659: trace = 2.451794407418552 (1.41244e-06% change) linmin: converged after 2 iterations. iteration 660: trace = 2.451794383113304 (9.91325e-07% change) large trace change predicted (2.37022e-06%) linmin: converged after 3 iterations. iteration 661: trace = 2.451794325004935 (2.37003e-06% change) linmin: converged after 4 iterations. iteration 662: trace = 2.451794254543248 (2.87388e-06% change) linmin: converged after 17 iterations. iteration 663: trace = 2.451794216688021 (1.54398e-06% change) linmin: converged after 25 iterations. iteration 664: trace = 2.451794164297232 (2.13683e-06% change) linmin: converged after 3 iterations. iteration 665: trace = 2.451794063633481 (4.10572e-06% change) linmin: converged after 4 iterations. iteration 666: trace = 2.451793942038218 (4.95944e-06% change) linmin: converged after 5 iterations. iteration 667: trace = 2.451793909579729 (1.32387e-06% change) large trace change predicted (4.14426e-06%) linmin: converged after 3 iterations. iteration 668: trace = 2.451793807989577 (4.1435e-06% change) linmin: converged after 3 iterations. iteration 669: trace = 2.451793769166152 (1.58347e-06% change) linmin: converged after 3 iterations. iteration 670: trace = 2.451793738676322 (1.24357e-06% change) linmin: converged after 3 iterations. iteration 671: trace = 2.451793697207118 (1.69138e-06% change) linmin: converged after 4 iterations. iteration 672: trace = 2.451793685346335 (4.83759e-07% change) large trace change predicted (1.00259e-06%) linmin: converged after 2 iterations. iteration 673: trace = 2.451793660764926 (1.00259e-06% change) linmin: converged after 7 iterations. iteration 674: trace = 2.45179364255815 (7.4259e-07% change) linmin: converged after 19 iterations. iteration 675: trace = 2.451793634650099 (3.22541e-07% change) large trace change predicted (1.26364e-06%) linmin: converged after 23 iterations. iteration 676: trace = 2.451793603667983 (1.26365e-06% change) linmin: converged after 3 iterations. iteration 677: trace = 2.451793553949058 (2.02786e-06% change) linmin: converged after 5 iterations. iteration 678: trace = 2.451793533992017 (8.13977e-07% change) linmin: converged after 11 iterations. iteration 679: trace = 2.451793496294306 (1.53756e-06% change) large trace change predicted (4.19031e-06%) linmin: converged after 4 iterations. iteration 680: trace = 2.451793393536344 (4.19113e-06% change) linmin: converged after 3 iterations. iteration 681: trace = 2.45179336580716 (1.13098e-06% change) large trace change predicted (4.21856e-06%) linmin: converged after 4 iterations. iteration 682: trace = 2.451793262353742 (4.2195e-06% change) linmin: converged after 4 iterations. iteration 683: trace = 2.451793181731778 (3.28829e-06% change) linmin: converged after 4 iterations. iteration 684: trace = 2.451793157187403 (1.00108e-06% change) large trace change predicted (2.22357e-06%) linmin: converged after 3 iterations. iteration 685: trace = 2.451793102666251 (2.22373e-06% change) linmin: converged after 4 iterations. iteration 686: trace = 2.451793049653916 (2.16219e-06% change) linmin: converged after 2 iterations. iteration 687: trace = 2.451793025429164 (9.88042e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.4517929878891 (1.53113e-06% change) linmin: converged after 2 iterations. iteration 689: trace = 2.451792940549093 (1.93083e-06% change) linmin: converged after 6 iterations. iteration 690: trace = 2.451792915883914 (1.00601e-06% change) linmin: converged after 19 iterations. iteration 691: trace = 2.451792876064795 (1.62408e-06% change) linmin: converged after 4 iterations. iteration 692: trace = 2.451792838345648 (1.53843e-06% change) linmin: converged after 3 iterations. iteration 693: trace = 2.451792826915167 (4.66209e-07% change) large trace change predicted (1.79506e-06%) linmin: converged after 4 iterations. iteration 694: trace = 2.45179278290272 (1.79511e-06% change) linmin: converged after 3 iterations. iteration 695: trace = 2.451792747438423 (1.44646e-06% change) linmin: converged after 5 iterations. iteration 696: trace = 2.451792716364385 (1.2674e-06% change) linmin: converged after 2 iterations. iteration 697: trace = 2.451792665784828 (2.06296e-06% change) linmin: converged after 2 iterations. iteration 698: trace = 2.451792565258818 (4.1001e-06% change) linmin: converged after 3 iterations. iteration 699: trace = 2.45179236980796 (7.97175e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 700: trace = 2.451792265840784 (4.24046e-06% change) linmin: converged after 3 iterations. iteration 701: trace = 2.451792191930716 (3.01453e-06% change) linmin: converged after 2 iterations. iteration 702: trace = 2.451792148664044 (1.7647e-06% change) linmin: converged after 13 iterations. iteration 703: trace = 2.451792122137848 (1.08191e-06% change) large trace change predicted (2.81916e-06%) linmin: converged after 3 iterations. iteration 704: trace = 2.451792053020108 (2.81907e-06% change) linmin: converged after 5 iterations. iteration 705: trace = 2.451792027058153 (1.0589e-06% change) linmin: converged after 2 iterations. iteration 706: trace = 2.45179201006231 (6.93201e-07% change) large trace change predicted (1.91178e-06%) linmin: converged after 3 iterations. iteration 707: trace = 2.451791963190513 (1.91174e-06% change) linmin: converged after 4 iterations. iteration 708: trace = 2.451791954954061 (3.35936e-07% change) large trace change predicted (1.13734e-06%) linmin: converged after 3 iterations. iteration 709: trace = 2.451791927069571 (1.13731e-06% change) linmin: converged after 3 iterations. iteration 710: trace = 2.451791905694446 (8.71816e-07% change) linmin: converged after 3 iterations. iteration 711: trace = 2.45179189536726 (4.2121e-07% change) large trace change predicted (9.59289e-07%) linmin: converged after 3 iterations. iteration 712: trace = 2.45179187184791 (9.59272e-07% change) linmin: converged after 25 iterations. iteration 713: trace = 2.45179183881496 (1.3473e-06% change) linmin: converged after 2 iterations. iteration 714: trace = 2.451791828748036 (4.10595e-07% change) large trace change predicted (1.72028e-06%) linmin: converged after 7 iterations. iteration 715: trace = 2.45179178657364 (1.72015e-06% change) linmin: converged after 16 iterations. iteration 716: trace = 2.451791739505495 (1.91974e-06% change) linmin: converged after 5 iterations. iteration 717: trace = 2.451791726865672 (5.15534e-07% change) large trace change predicted (2.28472e-06%) linmin: converged after 3 iterations. iteration 718: trace = 2.451791670854469 (2.2845e-06% change) linmin: converged after 19 iterations. iteration 719: trace = 2.451791623146107 (1.94586e-06% change) linmin: converged after 5 iterations. iteration 720: trace = 2.451791604248033 (7.70786e-07% change) linmin: converged after 20 iterations. iteration 721: trace = 2.451791578522004 (1.04927e-06% change) linmin: converged after 5 iterations. iteration 722: trace = 2.45179154531984 (1.3542e-06% change) linmin: converged after 3 iterations. iteration 723: trace = 2.45179154001316 (2.16441e-07% change) large trace change predicted (1.04398e-06%) linmin: converged after 7 iterations. iteration 724: trace = 2.451791514417294 (1.04397e-06% change) linmin: converged after 2 iterations. iteration 725: trace = 2.451791499697777 (6.00358e-07% change) linmin: converged after 6 iterations. iteration 726: trace = 2.451791490821247 (3.62043e-07% change) linmin: converged after 21 iterations. iteration 727: trace = 2.451791479182166 (4.74717e-07% change) linmin: converged after 20 iterations. iteration 728: trace = 2.451791468603028 (4.31486e-07% change) linmin: converged after 22 iterations. iteration 729: trace = 2.451791463214177 (2.19792e-07% change) large trace change predicted (4.4337e-07%) linmin: converged after 4 iterations. iteration 730: trace = 2.451791452343017 (4.43397e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.451791433208534 (7.80429e-07% change) linmin: converged after 3 iterations. iteration 732: trace = 2.451791427326031 (2.39927e-07% change) large trace change predicted (1.51442e-06%) linmin: converged after 3 iterations. iteration 733: trace = 2.451791390191013 (1.51461e-06% change) linmin: converged after 3 iterations. iteration 734: trace = 2.451791339090589 (2.08421e-06% change) linmin: converged after 4 iterations. iteration 735: trace = 2.451791314687017 (9.95336e-07% change) linmin: converged after 6 iterations. iteration 736: trace = 2.4517912856032 (1.18623e-06% change) linmin: converged after 3 iterations. iteration 737: trace = 2.451791227755417 (2.35941e-06% change) linmin: converged after 2 iterations. iteration 738: trace = 2.451791216222877 (4.70372e-07% change) large trace change predicted (1.06006e-06%) linmin: converged after 27 iterations. iteration 739: trace = 2.451791190230289 (1.06015e-06% change) linmin: converged after 5 iterations. iteration 740: trace = 2.451791175816381 (5.87893e-07% change) linmin: converged after 4 iterations. iteration 741: trace = 2.451791171007147 (1.96152e-07% change) large trace change predicted (4.24916e-07%) linmin: converged after 7 iterations. iteration 742: trace = 2.451791160588906 (4.24924e-07% change) linmin: converged after 4 iterations. iteration 743: trace = 2.451791150675575 (4.0433e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.451791145408891 (2.1481e-07% change) linmin: converged after 3 iterations. iteration 745: trace = 2.451791137991258 (3.02539e-07% change) large trace change predicted (6.95864e-07%) linmin: converged after 3 iterations. iteration 746: trace = 2.451791120930879 (6.95833e-07% change) linmin: converged after 26 iterations. iteration 747: trace = 2.451791117822212 (1.26792e-07% change) large trace change predicted (7.7344e-07%) linmin: converged after 3 iterations. iteration 748: trace = 2.451791098859697 (7.73415e-07% change) linmin: converged after 4 iterations. iteration 749: trace = 2.451791091886388 (2.84417e-07% change) linmin: converged after 4 iterations. iteration 750: trace = 2.451791081648536 (4.17566e-07% change) large trace change predicted (8.54253e-07%) linmin: converged after 9 iterations. iteration 751: trace = 2.451791060704737 (8.54224e-07% change) linmin: converged after 2 iterations. iteration 752: trace = 2.451791041158371 (7.97228e-07% change) linmin: converged after 3 iterations. iteration 753: trace = 2.451791032627479 (3.47945e-07% change) large trace change predicted (1.04605e-06%) linmin: converged after 2 iterations. iteration 754: trace = 2.451791006980357 (1.04606e-06% change) linmin: converged after 4 iterations. iteration 755: trace = 2.451790980819919 (1.06699e-06% change) linmin: converged after 4 iterations. iteration 756: trace = 2.451790974218321 (2.69256e-07% change) large trace change predicted (1.11218e-06%) linmin: converged after 3 iterations. iteration 757: trace = 2.451790946951377 (1.11212e-06% change) linmin: converged after 3 iterations. iteration 758: trace = 2.451790925440033 (8.77373e-07% change) linmin: converged after 13 iterations. iteration 759: trace = 2.451790920711863 (1.92846e-07% change) large trace change predicted (4.36471e-07%) linmin: converged after 8 iterations. iteration 760: trace = 2.45179091001081 (4.36459e-07% change) linmin: converged after 8 iterations. iteration 761: trace = 2.451790900670096 (3.80975e-07% change) linmin: converged after 4 iterations. iteration 762: trace = 2.451790898448133 (9.06261e-08% change) large trace change predicted (2.66754e-07%) linmin: converged after 2 iterations. iteration 763: trace = 2.451790891907878 (2.66754e-07% change) linmin: converged after 11 iterations. iteration 764: trace = 2.451790884721091 (2.93124e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.451790882029681 (1.09773e-07% change) large trace change predicted (4.53892e-07%) linmin: converged after 22 iterations. iteration 766: trace = 2.451790870901434 (4.53882e-07% change) linmin: converged after 3 iterations. iteration 767: trace = 2.451790862651265 (3.36496e-07% change) linmin: converged after 3 iterations. iteration 768: trace = 2.451790859943585 (1.10437e-07% change) linmin: converged after 9 iterations. iteration 769: trace = 2.451790854622261 (2.17038e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 770: trace = 2.451790850736156 (1.58501e-07% change) linmin: converged after 3 iterations. iteration 771: trace = 2.451790848780821 (7.97513e-08% change) large trace change predicted (2.8187e-07%) linmin: converged after 2 iterations. iteration 772: trace = 2.451790841869923 (2.81871e-07% change) linmin: converged after 24 iterations. iteration 773: trace = 2.45179083449406 (3.00836e-07% change) linmin: converged after 3 iterations. iteration 774: trace = 2.451790830224255 (1.7415e-07% change) large trace change predicted (3.49862e-07%) linmin: converged after 2 iterations. iteration 775: trace = 2.451790821646288 (3.49865e-07% change) linmin: converged after 3 iterations. iteration 776: trace = 2.451790817590084 (1.65438e-07% change) linmin: converged after 5 iterations. iteration 777: trace = 2.451790812697268 (1.99561e-07% change) linmin: converged after 3 iterations. iteration 778: trace = 2.451790804441738 (3.36714e-07% change) linmin: converged after 5 iterations. iteration 779: trace = 2.451790799474577 (2.02593e-07% change) linmin: converged after 2 iterations. iteration 780: trace = 2.451790793746871 (2.33613e-07% change) large trace change predicted (7.06209e-07%) linmin: converged after 10 iterations. iteration 781: trace = 2.451790776431223 (7.06245e-07% change) linmin: converged after 9 iterations. iteration 782: trace = 2.451790763844448 (5.13371e-07% change) linmin: converged after 4 iterations. iteration 783: trace = 2.451790754432425 (3.83884e-07% change) large trace change predicted (8.1418e-07%) linmin: converged after 4 iterations. iteration 784: trace = 2.451790734469889 (8.14202e-07% change) linmin: converged after 6 iterations. iteration 785: trace = 2.451790725902935 (3.49416e-07% change) large trace change predicted (7.13664e-07%) linmin: converged after 22 iterations. iteration 786: trace = 2.451790708405207 (7.13671e-07% change) linmin: converged after 2 iterations. iteration 787: trace = 2.451790688069498 (8.29423e-07% change) linmin: converged after 13 iterations. iteration 788: trace = 2.451790676621194 (4.66936e-07% change) linmin: converged after 19 iterations. iteration 789: trace = 2.451790666951052 (3.94411e-07% change) linmin: converged after 7 iterations. iteration 790: trace = 2.45179065530475 (4.75012e-07% change) linmin: converged after 9 iterations. iteration 791: trace = 2.451790645464281 (4.01358e-07% change) linmin: converged after 3 iterations. iteration 792: trace = 2.451790640268372 (2.11923e-07% change) large trace change predicted (4.37856e-07%) linmin: converged after 3 iterations. iteration 793: trace = 2.451790629532549 (4.37877e-07% change) linmin: converged after 6 iterations. iteration 794: trace = 2.451790625486887 (1.65008e-07% change) linmin: converged after 7 iterations. iteration 795: trace = 2.451790621763671 (1.51857e-07% change) large trace change predicted (3.92591e-07%) linmin: converged after 5 iterations. iteration 796: trace = 2.451790612137841 (3.92604e-07% change) linmin: converged after 3 iterations. iteration 797: trace = 2.451790610497388 (6.69084e-08% change) large trace change predicted (3.81881e-07%) linmin: converged after 4 iterations. iteration 798: trace = 2.451790601134438 (3.81882e-07% change) linmin: converged after 10 iterations. iteration 799: trace = 2.451790592150075 (3.66441e-07% change) linmin: converged after 13 iterations. iteration 800: trace = 2.451790580991582 (4.55116e-07% change) linmin: converged after 4 iterations. iteration 801: trace = 2.451790575201232 (2.36168e-07% change) large trace change predicted (6.60894e-07%) linmin: converged after 2 iterations. iteration 802: trace = 2.451790558997469 (6.60895e-07% change) linmin: converged after 4 iterations. iteration 803: trace = 2.45179053723362 (8.87672e-07% change) linmin: converged after 6 iterations. iteration 804: trace = 2.451790529390748 (3.19883e-07% change) large trace change predicted (1.39634e-06%) linmin: converged after 4 iterations. iteration 805: trace = 2.451790495160123 (1.39615e-06% change) linmin: converged after 8 iterations. iteration 806: trace = 2.451790481076751 (5.74412e-07% change) linmin: converged after 3 iterations. iteration 807: trace = 2.451790459563808 (8.77438e-07% change) linmin: converged after 3 iterations. iteration 808: trace = 2.451790446342061 (5.39269e-07% change) linmin: converged after 4 iterations. iteration 809: trace = 2.451790440342123 (2.44717e-07% change) linmin: converged after 4 iterations. iteration 810: trace = 2.451790435433245 (2.00216e-07% change) linmin: converged after 3 iterations. iteration 811: trace = 2.451790428497347 (2.82891e-07% change) linmin: converged after 8 iterations. iteration 812: trace = 2.451790426597656 (7.74818e-08% change) large trace change predicted (2.46463e-07%) linmin: converged after 4 iterations. iteration 813: trace = 2.451790420554907 (2.46463e-07% change) linmin: converged after 4 iterations. iteration 814: trace = 2.451790415291416 (2.14679e-07% change) linmin: converged after 3 iterations. iteration 815: trace = 2.451790413150698 (8.73125e-08% change) large trace change predicted (4.66979e-07%) linmin: converged after 7 iterations. iteration 816: trace = 2.451790401701011 (4.66993e-07% change) linmin: converged after 3 iterations. iteration 817: trace = 2.451790388313961 (5.46011e-07% change) linmin: converged after 4 iterations. iteration 818: trace = 2.451790382630603 (2.31804e-07% change) large trace change predicted (5.34739e-07%) linmin: converged after 11 iterations. iteration 819: trace = 2.451790369519399 (5.3476e-07% change) linmin: converged after 9 iterations. iteration 820: trace = 2.451790348938323 (8.3943e-07% change) linmin: converged after 6 iterations. iteration 821: trace = 2.451790333163449 (6.43402e-07% change) linmin: converged after 8 iterations. iteration 822: trace = 2.45179032403559 (3.72294e-07% change) large trace change predicted (7.81578e-07%) linmin: converged after 14 iterations. iteration 823: trace = 2.451790304871935 (7.81619e-07% change) linmin: converged after 5 iterations. iteration 824: trace = 2.451790295531658 (3.80957e-07% change) linmin: converged after 2 iterations. iteration 825: trace = 2.451790285744269 (3.99194e-07% change) linmin: converged after 11 iterations. iteration 826: trace = 2.451790272061595 (5.58069e-07% change) linmin: converged after 6 iterations. iteration 827: trace = 2.451790266942433 (2.08793e-07% change) linmin: converged after 5 iterations. iteration 828: trace = 2.451790258678502 (3.37057e-07% change) linmin: converged after 3 iterations. iteration 829: trace = 2.451790247271042 (4.65271e-07% change) linmin: converged after 2 iterations. iteration 830: trace = 2.451790244311814 (1.20697e-07% change) large trace change predicted (3.56888e-07%) linmin: converged after 3 iterations. iteration 831: trace = 2.45179023556167 (3.56888e-07% change) linmin: converged after 25 iterations. iteration 832: trace = 2.45179022555658 (4.08073e-07% change) linmin: converged after 7 iterations. iteration 833: trace = 2.451790222941453 (1.06662e-07% change) large trace change predicted (2.88187e-07%) linmin: converged after 4 iterations. iteration 834: trace = 2.451790215875715 (2.88187e-07% change) large trace change predicted (6.82744e-07%) linmin: converged after 3 iterations. iteration 835: trace = 2.451790199135536 (6.82774e-07% change) linmin: converged after 2 iterations. iteration 836: trace = 2.451790194475009 (1.90087e-07% change) large trace change predicted (8.45349e-07%) linmin: converged after 3 iterations. iteration 837: trace = 2.451790173748307 (8.4537e-07% change) linmin: converged after 10 iterations. iteration 838: trace = 2.45179015497831 (7.65563e-07% change) linmin: converged after 16 iterations. iteration 839: trace = 2.451790141766932 (5.38846e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.451790130652822 (4.53306e-07% change) linmin: converged after 3 iterations. iteration 841: trace = 2.451790117578799 (5.33244e-07% change) linmin: converged after 3 iterations. iteration 842: trace = 2.451790101719007 (6.46866e-07% change) linmin: converged after 25 iterations. iteration 843: trace = 2.451790097671424 (1.65087e-07% change) large trace change predicted (5.1677e-07%) linmin: converged after 3 iterations. iteration 844: trace = 2.451790085002 (5.16742e-07% change) linmin: converged after 5 iterations. iteration 845: trace = 2.451790075364461 (3.93082e-07% change) linmin: converged after 4 iterations. iteration 846: trace = 2.451790072195899 (1.29235e-07% change) large trace change predicted (4.12186e-07%) linmin: converged after 3 iterations. iteration 847: trace = 2.451790062090133 (4.12179e-07% change) linmin: converged after 17 iterations. iteration 848: trace = 2.451790058926191 (1.29046e-07% change) large trace change predicted (2.63649e-07%) linmin: converged after 5 iterations. iteration 849: trace = 2.451790052462258 (2.63641e-07% change) linmin: converged after 3 iterations. iteration 850: trace = 2.451790046396517 (2.47401e-07% change) linmin: converged after 8 iterations. iteration 851: trace = 2.451790043367849 (1.23529e-07% change) linmin: converged after 3 iterations. iteration 852: trace = 2.451790039269316 (1.67165e-07% change) large trace change predicted (3.34821e-07%) linmin: converged after 7 iterations. iteration 853: trace = 2.45179003106038 (3.34814e-07% change) linmin: converged after 24 iterations. iteration 854: trace = 2.451790024970796 (2.48373e-07% change) linmin: converged after 5 iterations. iteration 855: trace = 2.451790017007872 (3.2478e-07% change) linmin: converged after 3 iterations. iteration 856: trace = 2.451790004551986 (5.08032e-07% change) linmin: converged after 4 iterations. iteration 857: trace = 2.451790000272914 (1.74528e-07% change) large trace change predicted (5.59857e-07%) linmin: converged after 17 iterations. iteration 858: trace = 2.451789986547154 (5.59826e-07% change) linmin: converged after 5 iterations. iteration 859: trace = 2.451789975362655 (4.56177e-07% change) linmin: converged after 4 iterations. iteration 860: trace = 2.451789968005178 (3.00086e-07% change) linmin: converged after 4 iterations. iteration 861: trace = 2.45178996537633 (1.07222e-07% change) large trace change predicted (3.42951e-07%) linmin: converged after 22 iterations. iteration 862: trace = 2.451789956968089 (3.42943e-07% change) linmin: converged after 3 iterations. iteration 863: trace = 2.451789951005074 (2.43211e-07% change) linmin: converged after 6 iterations. iteration 864: trace = 2.451789948906951 (8.55751e-08% change) linmin: converged after 4 iterations. iteration 865: trace = 2.451789945675188 (1.31812e-07% change) linmin: converged after 3 iterations. iteration 866: trace = 2.451789943217673 (1.00233e-07% change) linmin: converged after 3 iterations. iteration 867: trace = 2.451789940823766 (9.76391e-08% change) linmin: converged after 5 iterations. iteration 868: trace = 2.451789938148882 (1.09099e-07% change) linmin: converged after 7 iterations. iteration 869: trace = 2.451789935455995 (1.09834e-07% change) linmin: converged after 29 iterations. iteration 870: trace = 2.451789933603409 (7.55606e-08% change) large trace change predicted (2.08614e-07%) linmin: converged after 16 iterations. iteration 871: trace = 2.45178992848846 (2.08621e-07% change) linmin: converged after 7 iterations. iteration 872: trace = 2.451789920896306 (3.09658e-07% change) linmin: converged after 3 iterations. iteration 873: trace = 2.451789917419556 (1.41805e-07% change) large trace change predicted (5.71054e-07%) linmin: converged after 3 iterations. iteration 874: trace = 2.45178990341708 (5.71112e-07% change) linmin: converged after 3 iterations. iteration 875: trace = 2.451789896518359 (2.81375e-07% change) linmin: converged after 6 iterations. iteration 876: trace = 2.451789889618854 (2.81407e-07% change) linmin: converged after 2 iterations. iteration 877: trace = 2.451789877036018 (5.1321e-07% change) linmin: converged after 2 iterations. iteration 878: trace = 2.451789870349878 (2.72704e-07% change) linmin: converged after 4 iterations. iteration 879: trace = 2.451789867664974 (1.09508e-07% change) linmin: converged after 21 iterations. iteration 880: trace = 2.451789864008951 (1.49116e-07% change) linmin: converged after 3 iterations. iteration 881: trace = 2.451789861036756 (1.21226e-07% change) linmin: converged after 4 iterations. iteration 882: trace = 2.451789860313866 (2.94842e-08% change) large trace change predicted (1.22215e-07%) linmin: converged after 4 iterations. iteration 883: trace = 2.451789857317415 (1.22215e-07% change) linmin: converged after 4 iterations. iteration 884: trace = 2.451789855887223 (5.83326e-08% change) linmin: converged after 2 iterations. iteration 885: trace = 2.451789854389887 (6.10711e-08% change) large trace change predicted (1.73986e-07%) linmin: converged after 4 iterations. iteration 886: trace = 2.45178985012418 (1.73983e-07% change) linmin: converged after 19 iterations. iteration 887: trace = 2.451789846931467 (1.3022e-07% change) linmin: converged after 4 iterations. iteration 888: trace = 2.451789844577092 (9.60267e-08% change) linmin: converged after 3 iterations. iteration 889: trace = 2.451789841005948 (1.45655e-07% change) linmin: converged after 3 iterations. iteration 890: trace = 2.451789836952724 (1.65317e-07% change) linmin: converged after 4 iterations. iteration 891: trace = 2.451789834899375 (8.3749e-08% change) large trace change predicted (2.33956e-07%) linmin: converged after 7 iterations. iteration 892: trace = 2.45178982916333 (2.33953e-07% change) linmin: converged after 10 iterations. iteration 893: trace = 2.451789822425168 (2.74826e-07% change) linmin: converged after 14 iterations. iteration 894: trace = 2.451789820359948 (8.42332e-08% change) large trace change predicted (2.40574e-07%) linmin: converged after 11 iterations. iteration 895: trace = 2.451789814461608 (2.40573e-07% change) linmin: converged after 4 iterations. iteration 896: trace = 2.451789809322398 (2.09611e-07% change) linmin: converged after 3 iterations. iteration 897: trace = 2.451789807034282 (9.33243e-08% change) linmin: converged after 27 iterations. iteration 898: trace = 2.4517898026986 (1.76837e-07% change) linmin: converged after 4 iterations. iteration 899: trace = 2.451789799312174 (1.38121e-07% change) linmin: converged after 4 iterations. iteration 900: trace = 2.451789798438976 (3.56147e-08% change) large trace change predicted (1.16608e-07%) linmin: converged after 11 iterations. iteration 901: trace = 2.451789795580043 (1.16606e-07% change) linmin: converged after 4 iterations. iteration 902: trace = 2.45178979435659 (4.99004e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.45178979329159 (4.34376e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.451789791283026 (8.19224e-08% change) linmin: converged after 3 iterations. iteration 905: trace = 2.451789789747027 (6.2648e-08% change) linmin: converged after 6 iterations. iteration 906: trace = 2.45178978823559 (6.16463e-08% change) linmin: converged after 8 iterations. iteration 907: trace = 2.451789786422252 (7.39598e-08% change) linmin: converged after 3 iterations. iteration 908: trace = 2.451789785136507 (5.24411e-08% change) linmin: converged after 3 iterations. iteration 909: trace = 2.451789784398787 (3.0089e-08% change) resetting CG direction... linmin: converged after 33 iterations. iteration 910: trace = 2.45178978372239 (2.75879e-08% change) linmin: converged after 3 iterations. iteration 911: trace = 2.451789782726463 (4.06204e-08% change) linmin: converged after 3 iterations. iteration 912: trace = 2.451789781212491 (6.17497e-08% change) linmin: converged after 7 iterations. iteration 913: trace = 2.451789779875948 (5.45129e-08% change) linmin: converged after 4 iterations. iteration 914: trace = 2.451789778625379 (5.10064e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.451789776564825 (8.40429e-08% change) linmin: converged after 4 iterations. iteration 916: trace = 2.451789775371867 (4.86566e-08% change) linmin: converged after 3 iterations. iteration 917: trace = 2.451789774054313 (5.37384e-08% change) large trace change predicted (1.1113e-07%) linmin: converged after 3 iterations. iteration 918: trace = 2.451789771329607 (1.11131e-07% change) linmin: converged after 27 iterations. iteration 919: trace = 2.451789770574177 (3.08114e-08% change) large trace change predicted (9.94201e-08%) linmin: converged after 8 iterations. iteration 920: trace = 2.451789768136583 (9.9421e-08% change) linmin: converged after 21 iterations. iteration 921: trace = 2.451789765165151 (1.21194e-07% change) linmin: converged after 5 iterations. iteration 922: trace = 2.451789764039035 (4.59304e-08% change) large trace change predicted (1.71542e-07%) linmin: converged after 20 iterations. iteration 923: trace = 2.451789759833119 (1.71545e-07% change) linmin: converged after 4 iterations. iteration 924: trace = 2.451789755064095 (1.94512e-07% change) linmin: converged after 5 iterations. iteration 925: trace = 2.451789753301272 (7.18994e-08% change) large trace change predicted (2.41629e-07%) linmin: converged after 3 iterations. iteration 926: trace = 2.451789747377023 (2.4163e-07% change) linmin: converged after 3 iterations. iteration 927: trace = 2.451789743136205 (1.72968e-07% change) linmin: converged after 4 iterations. iteration 928: trace = 2.451789741484413 (6.73709e-08% change) large trace change predicted (1.71697e-07%) linmin: converged after 4 iterations. iteration 929: trace = 2.451789737274729 (1.71698e-07% change) linmin: converged after 10 iterations. iteration 930: trace = 2.451789734450408 (1.15194e-07% change) linmin: converged after 4 iterations. iteration 931: trace = 2.451789733233363 (4.9639e-08% change) large trace change predicted (1.07501e-07%) linmin: converged after 3 iterations. iteration 932: trace = 2.451789730597635 (1.07502e-07% change) linmin: converged after 7 iterations. iteration 933: trace = 2.451789727973979 (1.0701e-07% change) linmin: converged after 4 iterations. iteration 934: trace = 2.451789727193226 (3.18442e-08% change) linmin: converged after 11 iterations. iteration 935: trace = 2.451789725794567 (5.70465e-08% change) linmin: converged after 3 iterations. iteration 936: trace = 2.451789723405372 (9.7447e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.451789722618933 (3.20761e-08% change) large trace change predicted (7.73954e-08%) linmin: converged after 3 iterations. iteration 938: trace = 2.451789720721378 (7.73947e-08% change) linmin: converged after 16 iterations. iteration 939: trace = 2.451789718299249 (9.87903e-08% change) linmin: converged after 4 iterations. iteration 940: trace = 2.45178971719452 (4.5058e-08% change) large trace change predicted (1.45787e-07%) linmin: converged after 4 iterations. iteration 941: trace = 2.451789713620216 (1.45783e-07% change) linmin: converged after 4 iterations. iteration 942: trace = 2.451789708394984 (2.13119e-07% change) linmin: converged after 5 iterations. iteration 943: trace = 2.451789704353748 (1.64828e-07% change) linmin: converged after 3 iterations. iteration 944: trace = 2.451789702342172 (8.20452e-08% change) large trace change predicted (3.28493e-07%) linmin: converged after 20 iterations. iteration 945: trace = 2.451789694288807 (3.28469e-07% change) linmin: converged after 11 iterations. iteration 946: trace = 2.451789687656083 (2.70526e-07% change) linmin: converged after 4 iterations. iteration 947: trace = 2.451789685223355 (9.92225e-08% change) linmin: converged after 3 iterations. iteration 948: trace = 2.451789680907474 (1.7603e-07% change) linmin: converged after 4 iterations. iteration 949: trace = 2.451789678868922 (8.31455e-08% change) linmin: converged after 4 iterations. iteration 950: trace = 2.451789678173815 (2.8351e-08% change) linmin: converged after 10 iterations. iteration 951: trace = 2.451789676801328 (5.5979e-08% change) linmin: converged after 4 iterations. iteration 952: trace = 2.45178967541773 (5.64322e-08% change) linmin: converged after 4 iterations. iteration 953: trace = 2.45178967492127 (2.02489e-08% change) large trace change predicted (5.11301e-08%) linmin: converged after 4 iterations. iteration 954: trace = 2.45178967366767 (5.113e-08% change) large trace change predicted (1.05106e-07%) linmin: converged after 19 iterations. iteration 955: trace = 2.451789671090639 (1.05108e-07% change) linmin: converged after 4 iterations. iteration 956: trace = 2.451789670085494 (4.09964e-08% change) large trace change predicted (1.68508e-07%) linmin: converged after 5 iterations. iteration 957: trace = 2.451789665953879 (1.68514e-07% change) linmin: converged after 3 iterations. iteration 958: trace = 2.451789663133067 (1.15051e-07% change) linmin: converged after 23 iterations. iteration 959: trace = 2.451789661467946 (6.79145e-08% change) large trace change predicted (1.98625e-07%) linmin: converged after 11 iterations. iteration 960: trace = 2.451789656597763 (1.98638e-07% change) linmin: converged after 22 iterations. iteration 961: trace = 2.451789652026789 (1.86434e-07% change) linmin: converged after 7 iterations. iteration 962: trace = 2.451789650084212 (7.9231e-08% change) large trace change predicted (1.94608e-07%) linmin: converged after 5 iterations. iteration 963: trace = 2.451789645312699 (1.94613e-07% change) linmin: converged after 2 iterations. iteration 964: trace = 2.451789642824902 (1.01469e-07% change) linmin: converged after 4 iterations. iteration 965: trace = 2.451789640346874 (1.0107e-07% change) linmin: converged after 7 iterations. iteration 966: trace = 2.451789637012786 (1.35986e-07% change) linmin: converged after 4 iterations. iteration 967: trace = 2.451789635615617 (5.69857e-08% change) linmin: converged after 8 iterations. iteration 968: trace = 2.451789633832326 (7.27343e-08% change) linmin: converged after 3 iterations. iteration 969: trace = 2.451789631345194 (1.01441e-07% change) linmin: converged after 7 iterations. iteration 970: trace = 2.451789628626759 (1.10876e-07% change) linmin: converged after 5 iterations. iteration 971: trace = 2.45178962806572 (2.28828e-08% change) large trace change predicted (1.01899e-07%) linmin: converged after 3 iterations. iteration 972: trace = 2.45178962556734 (1.019e-07% change) linmin: converged after 3 iterations. iteration 973: trace = 2.451789624377636 (4.85239e-08% change) linmin: converged after 4 iterations. iteration 974: trace = 2.451789622558809 (7.41837e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.4517896190195 (1.44356e-07% change) linmin: converged after 6 iterations. iteration 976: trace = 2.451789614337821 (1.90949e-07% change) linmin: converged after 4 iterations. iteration 977: trace = 2.451789612451773 (7.69254e-08% change) large trace change predicted (1.92361e-07%) linmin: converged after 10 iterations. iteration 978: trace = 2.451789607735527 (1.92359e-07% change) large trace change predicted (5.90753e-07%) linmin: converged after 4 iterations. iteration 979: trace = 2.451789593251029 (5.90773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.451789585678058 (3.08875e-07% change) linmin: converged after 10 iterations. iteration 981: trace = 2.45178958142829 (1.73333e-07% change) linmin: converged after 21 iterations. iteration 982: trace = 2.451789579193533 (9.1148e-08% change) linmin: converged after 7 iterations. iteration 983: trace = 2.451789576710129 (1.01289e-07% change) linmin: converged after 9 iterations. iteration 984: trace = 2.451789571854989 (1.98024e-07% change) linmin: converged after 4 iterations. iteration 985: trace = 2.451789569994678 (7.58756e-08% change) linmin: converged after 4 iterations. iteration 986: trace = 2.451789568186286 (7.3758e-08% change) linmin: converged after 3 iterations. iteration 987: trace = 2.451789565693987 (1.01652e-07% change) linmin: converged after 21 iterations. iteration 988: trace = 2.451789565351379 (1.39738e-08% change) large trace change predicted (5.4164e-08%) linmin: converged after 6 iterations. iteration 989: trace = 2.451789564023403 (5.41635e-08% change) linmin: converged after 3 iterations. iteration 990: trace = 2.451789562895927 (4.59859e-08% change) linmin: converged after 3 iterations. iteration 991: trace = 2.451789562012754 (3.60215e-08% change) linmin: converged after 6 iterations. iteration 992: trace = 2.45178956119363 (3.34093e-08% change) large trace change predicted (1.02683e-07%) linmin: converged after 5 iterations. iteration 993: trace = 2.451789558676108 (1.02681e-07% change) linmin: converged after 4 iterations. iteration 994: trace = 2.451789557848725 (3.37461e-08% change) large trace change predicted (9.42778e-08%) linmin: converged after 9 iterations. iteration 995: trace = 2.451789555537272 (9.42762e-08% change) linmin: converged after 7 iterations. iteration 996: trace = 2.45178955330259 (9.11449e-08% change) linmin: converged after 6 iterations. iteration 997: trace = 2.451789552371775 (3.79647e-08% change) large trace change predicted (9.25579e-08%) linmin: converged after 3 iterations. iteration 998: trace = 2.45178955010249 (9.25563e-08% change) linmin: converged after 18 iterations. iteration 999: trace = 2.451789548159242 (7.92583e-08% change) linmin: converged after 4 iterations. iteration 1000: trace = 2.451789546746675 (5.76137e-08% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.451789545196658 (6.32198e-08% change) linmin: converged after 21 iterations. iteration 1002: trace = 2.451789542106697 (1.26029e-07% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.451789541684409 (1.72237e-08% change) large trace change predicted (6.35029e-08%) linmin: converged after 6 iterations. iteration 1004: trace = 2.451789540127463 (6.35024e-08% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.451789539327693 (3.26198e-08% change) linmin: converged after 5 iterations. iteration 1006: trace = 2.451789538984625 (1.39925e-08% change) linmin: converged after 23 iterations. iteration 1007: trace = 2.451789538315147 (2.73057e-08% change) linmin: converged after 4 iterations. iteration 1008: trace = 2.451789537595789 (2.93401e-08% change) linmin: converged after 5 iterations. iteration 1009: trace = 2.451789537373796 (9.05435e-09% change) large trace change predicted (2.14582e-08%) linmin: converged after 4 iterations. iteration 1010: trace = 2.451789536847683 (2.14583e-08% change) large trace change predicted (5.3587e-08%) linmin: converged after 13 iterations. iteration 1011: trace = 2.45178953553382 (5.35879e-08% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.451789534473829 (4.32334e-08% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.451789532694611 (7.25681e-08% change) linmin: converged after 4 iterations. iteration 1014: trace = 2.451789530314902 (9.70601e-08% change) linmin: converged after 8 iterations. iteration 1015: trace = 2.451789529110084 (4.91403e-08% change) large trace change predicted (9.94358e-08%) linmin: converged after 23 iterations. iteration 1016: trace = 2.451789526672045 (9.94392e-08% change) linmin: converged after 5 iterations. iteration 1017: trace = 2.45178952391461 (1.12466e-07% change) linmin: converged after 21 iterations. iteration 1018: trace = 2.451789522857236 (4.31266e-08% change) linmin: converged after 4 iterations. iteration 1019: trace = 2.451789522061707 (3.24468e-08% change) linmin: converged after 8 iterations. iteration 1020: trace = 2.451789521192991 (3.54319e-08% change) linmin: converged after 3 iterations. iteration 1021: trace = 2.451789520608171 (2.38528e-08% change) linmin: converged after 4 iterations. iteration 1022: trace = 2.45178952020785 (1.63277e-08% change) linmin: converged after 9 iterations. iteration 1023: trace = 2.451789519633386 (2.34304e-08% change) linmin: converged after 6 iterations. iteration 1024: trace = 2.451789519118052 (2.10187e-08% change) linmin: converged after 4 iterations. iteration 1025: trace = 2.451789518781816 (1.37139e-08% change) large trace change predicted (3.35776e-08%) linmin: converged after 4 iterations. iteration 1026: trace = 2.451789517958568 (3.35774e-08% change) linmin: converged after 4 iterations. iteration 1027: trace = 2.451789517439551 (2.11689e-08% change) linmin: converged after 5 iterations. iteration 1028: trace = 2.451789516938425 (2.04392e-08% change) linmin: converged after 3 iterations. iteration 1029: trace = 2.45178951636189 (2.35149e-08% change) linmin: converged after 4 iterations. iteration 1030: trace = 2.451789515625428 (3.00377e-08% change) linmin: converged after 5 iterations. iteration 1031: trace = 2.451789514847983 (3.17093e-08% change) large trace change predicted (7.18198e-08%) linmin: converged after 3 iterations. iteration 1032: trace = 2.451789513087109 (7.182e-08% change) linmin: converged after 7 iterations. iteration 1033: trace = 2.451789512566876 (2.12185e-08% change) linmin: converged after 15 iterations. iteration 1034: trace = 2.451789511630865 (3.81767e-08% change) linmin: converged after 2 iterations. iteration 1035: trace = 2.451789510064173 (6.38999e-08% change) linmin: converged after 4 iterations. iteration 1036: trace = 2.451789509702204 (1.47634e-08% change) large trace change predicted (4.24194e-08%) linmin: converged after 6 iterations. iteration 1037: trace = 2.451789508662174 (4.24192e-08% change) linmin: converged after 28 iterations. iteration 1038: trace = 2.451789507461098 (4.89877e-08% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.451789506606025 (3.48755e-08% change) linmin: converged after 18 iterations. iteration 1040: trace = 2.451789506409705 (8.00722e-09% change) large trace change predicted (3.02161e-08%) linmin: converged after 4 iterations. iteration 1041: trace = 2.451789505668874 (3.02159e-08% change) linmin: converged after 13 iterations. iteration 1042: trace = 2.451789505435705 (9.51014e-09% change) linmin: converged after 2 iterations. iteration 1043: trace = 2.451789505158259 (1.13161e-08% change) linmin: converged after 3 iterations. iteration 1044: trace = 2.451789504774739 (1.56425e-08% change) linmin: converged after 20 iterations. iteration 1045: trace = 2.451789504329974 (1.81404e-08% change) linmin: converged after 4 iterations. iteration 1046: trace = 2.451789504003197 (1.33281e-08% change) linmin: converged after 2 iterations. iteration 1047: trace = 2.451789503590501 (1.68324e-08% change) linmin: converged after 4 iterations. iteration 1048: trace = 2.451789503330634 (1.05991e-08% change) linmin: converged after 28 iterations. iteration 1049: trace = 2.451789503128339 (8.2509e-09% change) resetting CG direction... linmin: converged after 9 iterations. iteration 1050: trace = 2.451789502962016 (6.78374e-09% change) linmin: converged after 13 iterations. iteration 1051: trace = 2.451789502784436 (7.24288e-09% change) large trace change predicted (1.47416e-08%) linmin: converged after 9 iterations. iteration 1052: trace = 2.451789502423002 (1.47417e-08% change) linmin: converged after 8 iterations. iteration 1053: trace = 2.451789502164915 (1.05265e-08% change) linmin: converged after 5 iterations. iteration 1054: trace = 2.451789501825544 (1.38418e-08% change) linmin: converged after 5 iterations. iteration 1055: trace = 2.451789501411684 (1.68799e-08% change) linmin: converged after 16 iterations. iteration 1056: trace = 2.451789501173288 (9.72333e-09% change) linmin: converged after 6 iterations. iteration 1057: trace = 2.451789500828162 (1.40765e-08% change) linmin: converged after 6 iterations. iteration 1058: trace = 2.451789500177974 (2.65189e-08% change) linmin: converged after 5 iterations. iteration 1059: trace = 2.451789500037444 (5.73174e-09% change) large trace change predicted (2.99825e-08%) linmin: converged after 10 iterations. iteration 1060: trace = 2.451789499302327 (2.99829e-08% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.451789498557349 (3.03851e-08% change) linmin: converged after 3 iterations. iteration 1062: trace = 2.451789498039462 (2.11228e-08% change) linmin: converged after 4 iterations. iteration 1063: trace = 2.45178949738404 (2.67324e-08% change) linmin: converged after 4 iterations. iteration 1064: trace = 2.45178949622907 (4.71072e-08% change) linmin: converged after 22 iterations. iteration 1065: trace = 2.451789495305421 (3.76725e-08% change) linmin: converged after 21 iterations. iteration 1066: trace = 2.451789494721137 (2.38309e-08% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.45178949360109 (4.56828e-08% change) linmin: converged after 8 iterations. iteration 1068: trace = 2.451789492856723 (3.03601e-08% change) linmin: converged after 10 iterations. iteration 1069: trace = 2.45178949229224 (2.30233e-08% change) linmin: converged after 4 iterations. iteration 1070: trace = 2.451789491797887 (2.01629e-08% change) linmin: converged after 5 iterations. iteration 1071: trace = 2.451789491365316 (1.76431e-08% change) linmin: converged after 24 iterations. iteration 1072: trace = 2.451789491118513 (1.00662e-08% change) large trace change predicted (2.96234e-08%) linmin: converged after 10 iterations. iteration 1073: trace = 2.451789490392196 (2.96239e-08% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.451789490292126 (4.08152e-09% change) large trace change predicted (2.13499e-08%) linmin: converged after 6 iterations. iteration 1075: trace = 2.45178948976867 (2.135e-08% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.451789489385334 (1.56349e-08% change) linmin: converged after 6 iterations. iteration 1077: trace = 2.451789489219977 (6.74434e-09% change) large trace change predicted (1.81852e-08%) linmin: converged after 25 iterations. iteration 1078: trace = 2.451789488774115 (1.81852e-08% change) linmin: converged after 4 iterations. iteration 1079: trace = 2.451789488193018 (2.37009e-08% change) linmin: converged after 4 iterations. iteration 1080: trace = 2.451789487810412 (1.56052e-08% change) linmin: converged after 25 iterations. iteration 1081: trace = 2.451789487217555 (2.41806e-08% change) large trace change predicted (5.80925e-08%) linmin: converged after 5 iterations. iteration 1082: trace = 2.451789485793301 (5.80904e-08% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.451789484321333 (6.00365e-08% change) linmin: converged after 3 iterations. iteration 1084: trace = 2.451789483715688 (2.47022e-08% change) large trace change predicted (5.20395e-08%) linmin: converged after 4 iterations. iteration 1085: trace = 2.451789482439815 (5.20384e-08% change) linmin: converged after 17 iterations. iteration 1086: trace = 2.451789480615766 (7.43967e-08% change) linmin: converged after 23 iterations. iteration 1087: trace = 2.451789480057849 (2.27555e-08% change) linmin: converged after 3 iterations. iteration 1088: trace = 2.451789479697598 (1.46934e-08% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.451789479318219 (1.54735e-08% change) linmin: converged after 7 iterations. iteration 1090: trace = 2.451789479135877 (7.43712e-09% change) linmin: converged after 3 iterations. iteration 1091: trace = 2.451789478962792 (7.05951e-09% change) large trace change predicted (1.42707e-08%) linmin: converged after 4 iterations. iteration 1092: trace = 2.451789478612902 (1.42708e-08% change) linmin: converged after 15 iterations. iteration 1093: trace = 2.451789478422191 (7.77848e-09% change) linmin: converged after 34 iterations. iteration 1094: trace = 2.451789478208868 (8.70069e-09% change) large trace change predicted (3.48622e-08%) linmin: converged after 5 iterations. iteration 1095: trace = 2.451789477354111 (3.48626e-08% change) linmin: converged after 7 iterations. iteration 1096: trace = 2.451789477140853 (8.69805e-09% change) large trace change predicted (4.79724e-08%) linmin: converged after 4 iterations. iteration 1097: trace = 2.451789475964652 (4.79732e-08% change) linmin: converged after 10 iterations. iteration 1098: trace = 2.451789475110714 (3.48292e-08% change) linmin: converged after 9 iterations. iteration 1099: trace = 2.451789474615168 (2.02116e-08% change) linmin: converged after 15 iterations. iteration 1100: trace = 2.451789474057113 (2.27611e-08% change) linmin: converged after 2 iterations. iteration 1101: trace = 2.451789472951869 (4.50791e-08% change) linmin: converged after 3 iterations. iteration 1102: trace = 2.451789472627342 (1.32363e-08% change) large trace change predicted (4.17731e-08%) linmin: converged after 4 iterations. iteration 1103: trace = 2.451789471603143 (4.17735e-08% change) linmin: converged after 6 iterations. iteration 1104: trace = 2.451789470678366 (3.77185e-08% change) linmin: converged after 23 iterations. iteration 1105: trace = 2.451789470466405 (8.64518e-09% change) large trace change predicted (3.40001e-08%) linmin: converged after 4 iterations. iteration 1106: trace = 2.451789469632787 (3.40004e-08% change) linmin: converged after 4 iterations. iteration 1107: trace = 2.451789469155216 (1.94785e-08% change) linmin: converged after 18 iterations. iteration 1108: trace = 2.451789468979577 (7.16369e-09% change) large trace change predicted (1.51594e-08%) linmin: converged after 12 iterations. iteration 1109: trace = 2.451789468607901 (1.51594e-08% change) linmin: converged after 7 iterations. iteration 1110: trace = 2.451789468055926 (2.25131e-08% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.451789467543086 (2.09169e-08% change) linmin: converged after 5 iterations. iteration 1112: trace = 2.451789467372647 (6.95164e-09% change) large trace change predicted (3.2074e-08%) linmin: converged after 3 iterations. iteration 1113: trace = 2.451789466586261 (3.20739e-08% change) linmin: converged after 3 iterations. iteration 1114: trace = 2.451789466215636 (1.51165e-08% change) linmin: converged after 16 iterations. iteration 1115: trace = 2.451789465543267 (2.74236e-08% change) large trace change predicted (5.78277e-08%) linmin: converged after 4 iterations. iteration 1116: trace = 2.451789464125439 (5.78283e-08% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.451789463598613 (2.14874e-08% change) linmin: converged after 2 iterations. iteration 1118: trace = 2.451789462772691 (3.36865e-08% change) large trace change predicted (2.24586e-07%) linmin: converged after 16 iterations. iteration 1119: trace = 2.4517894572662 (2.24591e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1120: trace = 2.451789454800628 (1.00562e-07% change) linmin: converged after 4 iterations. iteration 1121: trace = 2.451789453900319 (3.67205e-08% change) linmin: converged after 3 iterations. iteration 1122: trace = 2.451789453020805 (3.58724e-08% change) linmin: converged after 6 iterations. iteration 1123: trace = 2.451789451877852 (4.66171e-08% change) linmin: converged after 3 iterations. iteration 1124: trace = 2.451789451058146 (3.3433e-08% change) linmin: converged after 23 iterations. iteration 1125: trace = 2.451789450292417 (3.12314e-08% change) linmin: converged after 28 iterations. iteration 1126: trace = 2.451789449846724 (1.81783e-08% change) linmin: converged after 4 iterations. iteration 1127: trace = 2.451789449739992 (4.35323e-09% change) large trace change predicted (1.71206e-08%) linmin: converged after 20 iterations. iteration 1128: trace = 2.451789449320231 (1.71206e-08% change) linmin: converged after 5 iterations. iteration 1129: trace = 2.451789449162853 (6.41887e-09% change) linmin: converged after 5 iterations. iteration 1130: trace = 2.451789448977824 (7.54669e-09% change) linmin: converged after 19 iterations. iteration 1131: trace = 2.451789448732061 (1.00239e-08% change) linmin: converged after 5 iterations. iteration 1132: trace = 2.451789448580512 (6.18114e-09% change) linmin: converged after 9 iterations. iteration 1133: trace = 2.451789448434489 (5.95576e-09% change) large trace change predicted (1.70511e-08%) linmin: converged after 4 iterations. iteration 1134: trace = 2.451789448016434 (1.7051e-08% change) linmin: converged after 4 iterations. iteration 1135: trace = 2.451789447897852 (4.83657e-09% change) large trace change predicted (2.00637e-08%) linmin: converged after 4 iterations. iteration 1136: trace = 2.451789447405936 (2.00635e-08% change) linmin: converged after 3 iterations. iteration 1137: trace = 2.451789446929933 (1.94145e-08% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.451789446724038 (8.39776e-09% change) linmin: converged after 4 iterations. iteration 1139: trace = 2.451789446344243 (1.54905e-08% change) linmin: converged after 9 iterations. iteration 1140: trace = 2.45178944594209 (1.64024e-08% change) linmin: converged after 17 iterations. iteration 1141: trace = 2.451789445712825 (9.35093e-09% change) linmin: converged after 4 iterations. iteration 1142: trace = 2.451789445324603 (1.58342e-08% change) linmin: converged after 4 iterations. iteration 1143: trace = 2.451789444874431 (1.83609e-08% change) linmin: converged after 4 iterations. iteration 1144: trace = 2.451789444802293 (2.94227e-09% change) large trace change predicted (1.74985e-08%) linmin: converged after 5 iterations. iteration 1145: trace = 2.451789444373273 (1.74983e-08% change) linmin: converged after 14 iterations. iteration 1146: trace = 2.451789444197008 (7.18921e-09% change) linmin: converged after 5 iterations. iteration 1147: trace = 2.451789443999578 (8.05251e-09% change) linmin: converged after 17 iterations. iteration 1148: trace = 2.451789443967304 (1.31635e-09% change) large trace change predicted (3.92356e-09%) linmin: converged after 17 iterations. iteration 1149: trace = 2.451789443871107 (3.92352e-09% change) linmin: converged after 12 iterations. iteration 1150: trace = 2.451789443739499 (5.36784e-09% change) linmin: converged after 4 iterations. iteration 1151: trace = 2.451789443650296 (3.63828e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.451789443487256 (6.64987e-09% change) large trace change predicted (1.54921e-08%) linmin: converged after 16 iterations. iteration 1153: trace = 2.451789443107419 (1.54922e-08% change) linmin: converged after 6 iterations. iteration 1154: trace = 2.451789442959 (6.05348e-09% change) large trace change predicted (1.78009e-08%) linmin: converged after 4 iterations. iteration 1155: trace = 2.451789442522556 (1.78011e-08% change) linmin: converged after 8 iterations. iteration 1156: trace = 2.451789442034507 (1.99058e-08% change) linmin: converged after 6 iterations. iteration 1157: trace = 2.451789441869777 (6.71875e-09% change) large trace change predicted (1.91735e-08%) linmin: converged after 9 iterations. iteration 1158: trace = 2.451789441399677 (1.91737e-08% change) linmin: converged after 14 iterations. iteration 1159: trace = 2.451789441022405 (1.53876e-08% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.45178944093529 (3.55313e-09% change) large trace change predicted (7.82666e-09%) linmin: converged after 8 iterations. iteration 1161: trace = 2.451789440743395 (7.82673e-09% change) linmin: converged after 15 iterations. iteration 1162: trace = 2.451789440575512 (6.84737e-09% change) linmin: converged after 4 iterations. iteration 1163: trace = 2.451789440533234 (1.72436e-09% change) large trace change predicted (3.9798e-09%) linmin: converged after 19 iterations. iteration 1164: trace = 2.451789440435655 (3.9799e-09% change) linmin: converged after 4 iterations. iteration 1165: trace = 2.451789440316674 (4.85282e-09% change) linmin: converged after 4 iterations. iteration 1166: trace = 2.451789440273216 (1.77252e-09% change) large trace change predicted (5.59232e-09%) linmin: converged after 17 iterations. iteration 1167: trace = 2.451789440136105 (5.59229e-09% change) linmin: converged after 10 iterations. iteration 1168: trace = 2.451789439956406 (7.3293e-09% change) linmin: converged after 8 iterations. iteration 1169: trace = 2.45178943988431 (2.94055e-09% change) linmin: converged after 5 iterations. iteration 1170: trace = 2.451789439783332 (4.11852e-09% change) large trace change predicted (9.80716e-09%) linmin: converged after 3 iterations. iteration 1171: trace = 2.451789439542881 (9.80717e-09% change) linmin: converged after 30 iterations. iteration 1172: trace = 2.451789439491519 (2.09488e-09% change) large trace change predicted (7.7296e-09%) linmin: converged after 7 iterations. iteration 1173: trace = 2.451789439302004 (7.72966e-09% change) linmin: converged after 25 iterations. iteration 1174: trace = 2.451789438979144 (1.31683e-08% change) linmin: converged after 22 iterations. iteration 1175: trace = 2.451789438861095 (4.81482e-09% change) large trace change predicted (1.15483e-08%) linmin: converged after 13 iterations. iteration 1176: trace = 2.451789438577952 (1.15485e-08% change) linmin: converged after 3 iterations. iteration 1177: trace = 2.451789438316322 (1.0671e-08% change) linmin: converged after 6 iterations. iteration 1178: trace = 2.451789438158082 (6.45403e-09% change) linmin: converged after 9 iterations. iteration 1179: trace = 2.451789438091058 (2.7337e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.451789437960886 (5.30928e-09% change) linmin: converged after 18 iterations. iteration 1181: trace = 2.451789437810039 (6.15252e-09% change) linmin: converged after 2 iterations. iteration 1182: trace = 2.451789437784512 (1.04116e-09% change) large trace change predicted (3.34086e-09%) linmin: converged after 22 iterations. iteration 1183: trace = 2.4517894377026 (3.34088e-09% change) linmin: converged after 4 iterations. iteration 1184: trace = 2.451789437626897 (3.08766e-09% change) linmin: converged after 4 iterations. iteration 1185: trace = 2.451789437594309 (1.32914e-09% change) large trace change predicted (3.49077e-09%) linmin: converged after 16 iterations. iteration 1186: trace = 2.451789437508722 (3.4908e-09% change) linmin: converged after 4 iterations. iteration 1187: trace = 2.451789437423225 (3.48712e-09% change) linmin: converged after 8 iterations. iteration 1188: trace = 2.451789437381752 (1.69154e-09% change) linmin: converged after 13 iterations. iteration 1189: trace = 2.45178943733497 (1.9081e-09% change) resetting CG direction... linmin: converged after 6 iterations. iteration 1190: trace = 2.451789437298785 (1.47584e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.4517894372732 (1.04355e-09% change) large trace change predicted (2.24058e-09%) linmin: converged after 3 iterations. iteration 1192: trace = 2.451789437218267 (2.24052e-09% change) linmin: converged after 27 iterations. iteration 1193: trace = 2.451789437180832 (1.52682e-09% change) linmin: converged after 2 iterations. iteration 1194: trace = 2.451789437115108 (2.68065e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.45178943702815 (3.54672e-09% change) linmin: converged after 9 iterations. iteration 1196: trace = 2.451789436981476 (1.90368e-09% change) linmin: converged after 10 iterations. iteration 1197: trace = 2.451789436907156 (3.03126e-09% change) linmin: converged after 4 iterations. iteration 1198: trace = 2.451789436782107 (5.10031e-09% change) linmin: converged after 7 iterations. iteration 1199: trace = 2.451789436754382 (1.1308e-09% change) large trace change predicted (4.92148e-09%) linmin: converged after 4 iterations. iteration 1200: trace = 2.451789436633713 (4.9217e-09% change) linmin: converged after 4 iterations. iteration 1201: trace = 2.45178943651096 (5.00663e-09% change) linmin: converged after 4 iterations. iteration 1202: trace = 2.451789436451737 (2.41553e-09% change) large trace change predicted (7.0607e-09%) linmin: converged after 17 iterations. iteration 1203: trace = 2.451789436278625 (7.06063e-09% change) linmin: converged after 2 iterations. iteration 1204: trace = 2.451789436022101 (1.04627e-08% change) linmin: converged after 3 iterations. iteration 1205: trace = 2.45178943583682 (7.55699e-09% change) linmin: converged after 19 iterations. iteration 1206: trace = 2.451789435709842 (5.17897e-09% change) linmin: converged after 8 iterations. iteration 1207: trace = 2.451789435513479 (8.00896e-09% change) linmin: converged after 4 iterations. iteration 1208: trace = 2.451789435382537 (5.34067e-09% change) linmin: converged after 4 iterations. iteration 1209: trace = 2.451789435301188 (3.31795e-09% change) linmin: converged after 7 iterations. iteration 1210: trace = 2.451789435203965 (3.96541e-09% change) linmin: converged after 4 iterations. iteration 1211: trace = 2.451789435127112 (3.13456e-09% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.451789435049508 (3.1652e-09% change) linmin: converged after 32 iterations. iteration 1213: trace = 2.451789434904809 (5.90177e-09% change) linmin: converged after 15 iterations. iteration 1214: trace = 2.451789434881218 (9.62173e-10% change) large trace change predicted (3.17579e-09%) linmin: converged after 4 iterations. iteration 1215: trace = 2.451789434803358 (3.17567e-09% change) linmin: converged after 4 iterations. iteration 1216: trace = 2.451789434739968 (2.58545e-09% change) linmin: converged after 21 iterations. iteration 1217: trace = 2.451789434713268 (1.08898e-09% change) large trace change predicted (4.89033e-09%) linmin: converged after 2 iterations. iteration 1218: trace = 2.451789434593366 (4.8904e-09% change) linmin: converged after 3 iterations. iteration 1219: trace = 2.45178943447074 (5.0015e-09% change) linmin: converged after 24 iterations. iteration 1220: trace = 2.451789434357741 (4.60882e-09% change) linmin: converged after 11 iterations. iteration 1221: trace = 2.451789434267978 (3.66113e-09% change) large trace change predicted (1.03021e-08%) linmin: converged after 4 iterations. iteration 1222: trace = 2.451789434015397 (1.03019e-08% change) linmin: converged after 4 iterations. iteration 1223: trace = 2.451789433696972 (1.29874e-08% change) linmin: converged after 17 iterations. iteration 1224: trace = 2.451789433552949 (5.87422e-09% change) linmin: converged after 18 iterations. iteration 1225: trace = 2.451789433334862 (8.89501e-09% change) linmin: converged after 16 iterations. iteration 1226: trace = 2.451789433006891 (1.33768e-08% change) linmin: converged after 19 iterations. iteration 1227: trace = 2.451789432888533 (4.8274e-09% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.451789432857472 (1.26685e-09% change) linmin: converged after 5 iterations. iteration 1229: trace = 2.451789432798414 (2.40878e-09% change) linmin: converged after 9 iterations. iteration 1230: trace = 2.451789432764895 (1.36714e-09% change) linmin: converged after 11 iterations. iteration 1231: trace = 2.451789432735394 (1.20322e-09% change) large trace change predicted (3.08777e-09%) linmin: converged after 7 iterations. iteration 1232: trace = 2.45178943265969 (3.08774e-09% change) linmin: converged after 15 iterations. iteration 1233: trace = 2.45178943258334 (3.11405e-09% change) linmin: converged after 22 iterations. iteration 1234: trace = 2.451789432553883 (1.20144e-09% change) large trace change predicted (6.79587e-09%) linmin: converged after 28 iterations. iteration 1235: trace = 2.451789432387259 (6.79602e-09% change) linmin: converged after 31 iterations. iteration 1236: trace = 2.451789432301247 (3.5081e-09% change) linmin: converged after 4 iterations. iteration 1237: trace = 2.451789432131185 (6.93625e-09% change) linmin: converged after 24 iterations. iteration 1238: trace = 2.451789431936088 (7.95732e-09% change) linmin: converged after 2 iterations. iteration 1239: trace = 2.451789431839116 (3.95516e-09% change) linmin: converged after 2 iterations. iteration 1240: trace = 2.451789431722921 (4.73921e-09% change) linmin: converged after 14 iterations. iteration 1241: trace = 2.451789431521154 (8.22938e-09% change) linmin: converged after 15 iterations. iteration 1242: trace = 2.451789431440544 (3.28777e-09% change) linmin: converged after 5 iterations. iteration 1243: trace = 2.45178943129167 (6.07208e-09% change) linmin: converged after 4 iterations. iteration 1244: trace = 2.451789431119233 (7.0331e-09% change) linmin: converged after 18 iterations. iteration 1245: trace = 2.45178943107434 (1.83101e-09% change) large trace change predicted (5.58916e-09%) linmin: converged after 6 iterations. iteration 1246: trace = 2.451789430937306 (5.58918e-09% change) linmin: converged after 22 iterations. iteration 1247: trace = 2.451789430836432 (4.1143e-09% change) linmin: converged after 5 iterations. iteration 1248: trace = 2.451789430763661 (2.96805e-09% change) linmin: converged after 7 iterations. iteration 1249: trace = 2.451789430731146 (1.32619e-09% change) large trace change predicted (3.85144e-09%) linmin: converged after 6 iterations. iteration 1250: trace = 2.451789430636717 (3.85143e-09% change) linmin: converged after 7 iterations. iteration 1251: trace = 2.451789430524508 (4.57663e-09% change) linmin: converged after 4 iterations. iteration 1252: trace = 2.45178943050049 (9.79616e-10% change) large trace change predicted (5.12696e-09%) linmin: converged after 7 iterations. iteration 1253: trace = 2.451789430374786 (5.12703e-09% change) linmin: converged after 9 iterations. iteration 1254: trace = 2.451789430219521 (6.33271e-09% change) linmin: converged after 24 iterations. iteration 1255: trace = 2.451789430140737 (3.21331e-09% change) large trace change predicted (1.58627e-08%) linmin: converged after 2 iterations. iteration 1256: trace = 2.45178942975182 (1.58626e-08% change) linmin: converged after 16 iterations. iteration 1257: trace = 2.451789429588243 (6.67173e-09% change) linmin: converged after 3 iterations. iteration 1258: trace = 2.451789429446933 (5.76353e-09% change) large trace change predicted (2.40766e-08%) linmin: converged after 7 iterations. iteration 1259: trace = 2.451789428856623 (2.40767e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1260: trace = 2.451789428379108 (1.94762e-08% change) linmin: converged after 24 iterations. iteration 1261: trace = 2.451789428292885 (3.51674e-09% change) linmin: converged after 21 iterations. iteration 1262: trace = 2.451789428123229 (6.91969e-09% change) linmin: converged after 3 iterations. iteration 1263: trace = 2.451789427827525 (1.20607e-08% change) linmin: converged after 4 iterations. iteration 1264: trace = 2.451789427769957 (2.34799e-09% change) large trace change predicted (5.20359e-09%) linmin: converged after 20 iterations. iteration 1265: trace = 2.451789427642376 (5.20357e-09% change) linmin: converged after 3 iterations. iteration 1266: trace = 2.451789427556736 (3.49296e-09% change) linmin: converged after 4 iterations. iteration 1267: trace = 2.451789427538553 (7.41649e-10% change) large trace change predicted (3.0906e-09%) linmin: converged after 6 iterations. iteration 1268: trace = 2.45178942746278 (3.09053e-09% change) linmin: converged after 4 iterations. iteration 1269: trace = 2.451789427409696 (2.16508e-09% change) linmin: converged after 10 iterations. iteration 1270: trace = 2.451789427387325 (9.12435e-10% change) linmin: converged after 22 iterations. iteration 1271: trace = 2.451789427345755 (1.69551e-09% change) linmin: converged after 19 iterations. iteration 1272: trace = 2.451789427301454 (1.80687e-09% change) linmin: converged after 7 iterations. iteration 1273: trace = 2.451789427277019 (9.96642e-10% change) large trace change predicted (3.61819e-09%) linmin: converged after 25 iterations. iteration 1274: trace = 2.451789427188312 (3.61804e-09% change) linmin: converged after 6 iterations. iteration 1275: trace = 2.451789427104732 (3.40895e-09% change) linmin: converged after 12 iterations. iteration 1276: trace = 2.451789427067474 (1.5196e-09% change) large trace change predicted (3.7725e-09%) linmin: converged after 30 iterations. iteration 1277: trace = 2.451789426974981 (3.77247e-09% change) linmin: converged after 19 iterations. iteration 1278: trace = 2.451789426886685 (3.60131e-09% change) linmin: converged after 18 iterations. iteration 1279: trace = 2.451789426855997 (1.25163e-09% change) large trace change predicted (3.21873e-09%) linmin: converged after 23 iterations. iteration 1280: trace = 2.451789426777082 (3.21869e-09% change) linmin: converged after 4 iterations. iteration 1281: trace = 2.451789426675311 (4.15087e-09% change) linmin: converged after 9 iterations. iteration 1282: trace = 2.451789426652206 (9.42394e-10% change) large trace change predicted (4.15518e-09%) linmin: converged after 4 iterations. iteration 1283: trace = 2.451789426550331 (4.15513e-09% change) linmin: converged after 19 iterations. iteration 1284: trace = 2.451789426493461 (2.31953e-09% change) linmin: converged after 4 iterations. iteration 1285: trace = 2.451789426461265 (1.31315e-09% change) linmin: converged after 6 iterations. iteration 1286: trace = 2.451789426430333 (1.26162e-09% change) linmin: converged after 16 iterations. iteration 1287: trace = 2.451789426389659 (1.65894e-09% change) linmin: converged after 12 iterations. iteration 1288: trace = 2.451789426383331 (2.58126e-10% change) large trace change predicted (8.90228e-10%) linmin: converged after 7 iterations. iteration 1289: trace = 2.451789426361502 (8.90301e-10% change) linmin: converged after 16 iterations. iteration 1290: trace = 2.451789426338924 (9.20876e-10% change) linmin: converged after 2 iterations. iteration 1291: trace = 2.45178942633073 (3.342e-10% change) large trace change predicted (1.92757e-09%) linmin: converged after 4 iterations. iteration 1292: trace = 2.451789426283468 (1.92766e-09% change) linmin: converged after 19 iterations. iteration 1293: trace = 2.451789426194652 (3.6225e-09% change) linmin: converged after 5 iterations. iteration 1294: trace = 2.451789426103259 (3.72763e-09% change) linmin: converged after 16 iterations. iteration 1295: trace = 2.451789426067078 (1.47569e-09% change) large trace change predicted (5.55816e-09%) linmin: converged after 7 iterations. iteration 1296: trace = 2.451789425930798 (5.55837e-09% change) linmin: converged after 7 iterations. iteration 1297: trace = 2.451789425838819 (3.75154e-09% change) linmin: converged after 2 iterations. iteration 1298: trace = 2.451789425817384 (8.74235e-10% change) large trace change predicted (1.7951e-09%) linmin: converged after 17 iterations. iteration 1299: trace = 2.451789425773376 (1.79495e-09% change) linmin: converged after 4 iterations. iteration 1300: trace = 2.451789425736601 (1.49991e-09% change) linmin: converged after 8 iterations. iteration 1301: trace = 2.451789425721344 (6.22285e-10% change) large trace change predicted (1.47483e-09%) linmin: converged after 3 iterations. iteration 1302: trace = 2.451789425685182 (1.47493e-09% change) linmin: converged after 9 iterations. iteration 1303: trace = 2.451789425662749 (9.14953e-10% change) linmin: converged after 5 iterations. iteration 1304: trace = 2.451789425643686 (7.77531e-10% change) linmin: converged after 4 iterations. iteration 1305: trace = 2.45178942563422 (3.86094e-10% change) large trace change predicted (1.52913e-09%) linmin: converged after 5 iterations. iteration 1306: trace = 2.45178942559673 (1.52907e-09% change) linmin: converged after 10 iterations. iteration 1307: trace = 2.451789425586465 (4.18697e-10% change) large trace change predicted (9.5648e-10%) linmin: converged after 2 iterations. iteration 1308: trace = 2.451789425563012 (9.5654e-10% change) linmin: converged after 2 iterations. iteration 1309: trace = 2.451789425534362 (1.16855e-09% change) linmin: converged after 3 iterations. iteration 1310: trace = 2.451789425524134 (4.17139e-10% change) large trace change predicted (2.13933e-09%) linmin: converged after 3 iterations. iteration 1311: trace = 2.451789425471684 (2.13927e-09% change) linmin: converged after 3 iterations. iteration 1312: trace = 2.451789425431605 (1.63469e-09% change) linmin: converged after 15 iterations. iteration 1313: trace = 2.451789425410803 (8.48443e-10% change) large trace change predicted (2.72865e-09%) linmin: converged after 18 iterations. iteration 1314: trace = 2.451789425343902 (2.72865e-09% change) linmin: converged after 3 iterations. iteration 1315: trace = 2.451789425283307 (2.47146e-09% change) linmin: converged after 4 iterations. iteration 1316: trace = 2.451789425267598 (6.40724e-10% change) large trace change predicted (1.84938e-09%) linmin: converged after 18 iterations. iteration 1317: trace = 2.451789425222254 (1.84943e-09% change) linmin: converged after 2 iterations. iteration 1318: trace = 2.451789425189775 (1.3247e-09% change) linmin: converged after 3 iterations. iteration 1319: trace = 2.4517894251737 (6.55613e-10% change) linmin: converged after 15 iterations. iteration 1320: trace = 2.451789425154975 (7.63729e-10% change) linmin: converged after 2 iterations. iteration 1321: trace = 2.451789425126667 (1.1546e-09% change) linmin: converged after 3 iterations. iteration 1322: trace = 2.451789425108425 (7.4404e-10% change) linmin: converged after 8 iterations. iteration 1323: trace = 2.451789425098407 (4.08572e-10% change) linmin: converged after 8 iterations. iteration 1324: trace = 2.451789425084184 (5.80119e-10% change) linmin: converged after 2 iterations. iteration 1325: trace = 2.451789425063255 (8.53605e-10% change) linmin: converged after 6 iterations. iteration 1326: trace = 2.451789425056839 (2.61713e-10% change) linmin: converged after 5 iterations. iteration 1327: trace = 2.451789425047832 (3.67365e-10% change) linmin: converged after 3 iterations. iteration 1328: trace = 2.451789425036651 (4.56046e-10% change) linmin: converged after 13 iterations. iteration 1329: trace = 2.451789425031384 (2.14819e-10% change) resetting CG direction... linmin: converged after 2 iterations. iteration 1330: trace = 2.451789425026402 (2.03172e-10% change) linmin: converged after 4 iterations. iteration 1331: trace = 2.451789425016593 (4.00077e-10% change) linmin: converged after 9 iterations. iteration 1332: trace = 2.451789425010061 (2.6644e-10% change) linmin: converged after 5 iterations. iteration 1333: trace = 2.451789425002254 (3.18424e-10% change) large trace change predicted (7.97431e-10%) linmin: converged after 4 iterations. iteration 1334: trace = 2.451789424982703 (7.97401e-10% change) linmin: converged after 3 iterations. iteration 1335: trace = 2.451789424972215 (4.27771e-10% change) linmin: converged after 4 iterations. iteration 1336: trace = 2.451789424958625 (5.54308e-10% change) linmin: converged after 3 iterations. iteration 1337: trace = 2.45178942494128 (7.07434e-10% change) linmin: converged after 15 iterations. iteration 1338: trace = 2.451789424926077 (6.20058e-10% change) linmin: converged after 15 iterations. iteration 1339: trace = 2.451789424912029 (5.72964e-10% change) linmin: converged after 13 iterations. iteration 1340: trace = 2.451789424884935 (1.10508e-09% change) linmin: converged after 4 iterations. iteration 1341: trace = 2.451789424872765 (4.96383e-10% change) linmin: converged after 16 iterations. iteration 1342: trace = 2.451789424848576 (9.86589e-10% change) linmin: converged after 17 iterations. iteration 1343: trace = 2.451789424808531 (1.63327e-09% change) linmin: converged after 5 iterations. iteration 1344: trace = 2.451789424772227 (1.48071e-09% change) linmin: converged after 4 iterations. iteration 1345: trace = 2.451789424748269 (9.77171e-10% change) large trace change predicted (2.167e-09%) linmin: converged after 2 iterations. iteration 1346: trace = 2.451789424695141 (2.16691e-09% change) linmin: converged after 7 iterations. iteration 1347: trace = 2.451789424658118 (1.51003e-09% change) linmin: converged after 3 iterations. iteration 1348: trace = 2.451789424647823 (4.19892e-10% change) large trace change predicted (1.61363e-09%) linmin: converged after 17 iterations. iteration 1349: trace = 2.451789424608258 (1.61373e-09% change) linmin: converged after 2 iterations. iteration 1350: trace = 2.451789424591985 (6.63728e-10% change) linmin: converged after 3 iterations. iteration 1351: trace = 2.451789424579163 (5.22973e-10% change) linmin: converged after 4 iterations. iteration 1352: trace = 2.451789424562327 (6.86677e-10% change) linmin: converged after 21 iterations. iteration 1353: trace = 2.451789424536434 (1.05607e-09% change) linmin: converged after 4 iterations. iteration 1354: trace = 2.45178942453202 (1.80024e-10% change) large trace change predicted (7.29568e-10%) linmin: converged after 14 iterations. iteration 1355: trace = 2.451789424514134 (7.29514e-10% change) linmin: converged after 22 iterations. iteration 1356: trace = 2.451789424503403 (4.37697e-10% change) linmin: converged after 12 iterations. iteration 1357: trace = 2.451789424496385 (2.86238e-10% change) large trace change predicted (1.01752e-09%) linmin: converged after 2 iterations. iteration 1358: trace = 2.451789424471436 (1.0176e-09% change) linmin: converged after 2 iterations. iteration 1359: trace = 2.451789424457727 (5.59108e-10% change) linmin: converged after 4 iterations. iteration 1360: trace = 2.451789424441401 (6.65901e-10% change) large trace change predicted (1.5215e-09%) linmin: converged after 20 iterations. iteration 1361: trace = 2.4517894244041 (1.52139e-09% change) linmin: converged after 16 iterations. iteration 1362: trace = 2.451789424350351 (2.19222e-09% change) linmin: converged after 22 iterations. iteration 1363: trace = 2.451789424295335 (2.24393e-09% change) linmin: converged after 6 iterations. iteration 1364: trace = 2.451789424267806 (1.12278e-09% change) linmin: converged after 3 iterations. iteration 1365: trace = 2.451789424216301 (2.10075e-09% change) linmin: converged after 24 iterations. iteration 1366: trace = 2.451789424151033 (2.66203e-09% change) linmin: converged after 5 iterations. iteration 1367: trace = 2.451789424137584 (5.48548e-10% change) linmin: converged after 10 iterations. iteration 1368: trace = 2.451789424118441 (7.80773e-10% change) linmin: converged after 14 iterations. iteration 1369: trace = 2.451789424105455 (5.29656e-10% change) linmin: converged after 3 iterations. iteration 1370: trace = 2.451789424096591 (3.61551e-10% change) linmin: converged after 15 iterations. iteration 1371: trace = 2.451789424092687 (1.59212e-10% change) large trace change predicted (5.1949e-10%) linmin: converged after 3 iterations. iteration 1372: trace = 2.45178942407995 (5.19495e-10% change) linmin: converged after 4 iterations. iteration 1373: trace = 2.451789424069264 (4.3585e-10% change) linmin: converged after 12 iterations. iteration 1374: trace = 2.451789424058148 (4.53383e-10% change) large trace change predicted (1.53044e-09%) linmin: converged after 25 iterations. iteration 1375: trace = 2.451789424020625 (1.53043e-09% change) linmin: converged after 4 iterations. iteration 1376: trace = 2.451789424009109 (4.69685e-10% change) large trace change predicted (1.6032e-09%) linmin: converged after 4 iterations. iteration 1377: trace = 2.451789423969804 (1.60313e-09% change) linmin: converged after 4 iterations. iteration 1378: trace = 2.451789423931909 (1.54561e-09% change) linmin: converged after 4 iterations. iteration 1379: trace = 2.451789423911547 (8.30511e-10% change) linmin: converged after 4 iterations. iteration 1380: trace = 2.451789423887948 (9.62499e-10% change) linmin: converged after 7 iterations. iteration 1381: trace = 2.451789423845258 (1.74119e-09% change) linmin: converged after 3 iterations. iteration 1382: trace = 2.451789423825225 (8.17053e-10% change) linmin: converged after 4 iterations. iteration 1383: trace = 2.451789423797294 (1.13921e-09% change) linmin: converged after 4 iterations. iteration 1384: trace = 2.451789423762372 (1.42438e-09% change) linmin: converged after 4 iterations. iteration 1385: trace = 2.451789423751556 (4.41139e-10% change) large trace change predicted (9.92415e-10%) linmin: converged after 11 iterations. iteration 1386: trace = 2.451789423727223 (9.92458e-10% change) linmin: converged after 3 iterations. iteration 1387: trace = 2.451789423706326 (8.52319e-10% change) linmin: converged after 15 iterations. iteration 1388: trace = 2.45178942369586 (4.26866e-10% change) linmin: converged after 13 iterations. iteration 1389: trace = 2.451789423685949 (4.04225e-10% change) linmin: converged after 16 iterations. iteration 1390: trace = 2.451789423666368 (7.98668e-10% change) linmin: converged after 2 iterations. iteration 1391: trace = 2.451789423645899 (8.34858e-10% change) linmin: converged after 7 iterations. iteration 1392: trace = 2.451789423639723 (2.51877e-10% change) large trace change predicted (1.12882e-09%) linmin: converged after 3 iterations. iteration 1393: trace = 2.451789423612047 (1.12883e-09% change) linmin: converged after 5 iterations. iteration 1394: trace = 2.451789423580614 (1.28203e-09% change) linmin: converged after 9 iterations. iteration 1395: trace = 2.451789423565915 (5.99518e-10% change) large trace change predicted (3.14984e-09%) linmin: converged after 2 iterations. iteration 1396: trace = 2.451789423488688 (3.14983e-09% change) linmin: converged after 9 iterations. iteration 1397: trace = 2.451789423445791 (1.74961e-09% change) linmin: converged after 16 iterations. iteration 1398: trace = 2.451789423428728 (6.9595e-10% change) large trace change predicted (4.55222e-09%) linmin: converged after 18 iterations. iteration 1399: trace = 2.451789423317114 (4.55234e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1400: trace = 2.45178942322682 (3.68278e-09% change) linmin: converged after 18 iterations. iteration 1401: trace = 2.451789423212356 (5.89954e-10% change) large trace change predicted (1.63868e-09%) linmin: converged after 3 iterations. iteration 1402: trace = 2.45178942317218 (1.63862e-09% change) linmin: converged after 3 iterations. iteration 1403: trace = 2.45178942311541 (2.31544e-09% change) linmin: converged after 7 iterations. iteration 1404: trace = 2.451789423103856 (4.71279e-10% change) large trace change predicted (1.0712e-09%) linmin: converged after 2 iterations. iteration 1405: trace = 2.451789423077589 (1.07132e-09% change) linmin: converged after 6 iterations. iteration 1406: trace = 2.451789423059963 (7.18899e-10% change) linmin: converged after 3 iterations. iteration 1407: trace = 2.451789423055987 (1.62164e-10% change) large trace change predicted (5.94047e-10%) linmin: converged after 3 iterations. iteration 1408: trace = 2.451789423041421 (5.9412e-10% change) linmin: converged after 21 iterations. iteration 1409: trace = 2.451789423035884 (2.25813e-10% change) linmin: converged after 4 iterations. iteration 1410: trace = 2.451789423026342 (3.89209e-10% change) linmin: converged after 9 iterations. iteration 1411: trace = 2.451789423016263 (4.11089e-10% change) linmin: converged after 4 iterations. iteration 1412: trace = 2.451789423004644 (4.73869e-10% change) linmin: converged after 3 iterations. iteration 1413: trace = 2.451789422999864 (1.94967e-10% change) large trace change predicted (6.2102e-10%) linmin: converged after 10 iterations. iteration 1414: trace = 2.451789422984635 (6.21144e-10% change) linmin: converged after 24 iterations. iteration 1415: trace = 2.451789422964539 (8.19661e-10% change) linmin: converged after 3 iterations. iteration 1416: trace = 2.451789422951064 (5.4958e-10% change) linmin: converged after 2 iterations. iteration 1417: trace = 2.45178942293871 (5.03882e-10% change) linmin: converged after 17 iterations. iteration 1418: trace = 2.451789422916927 (8.88454e-10% change) linmin: converged after 12 iterations. iteration 1419: trace = 2.451789422905359 (4.7184e-10% change) linmin: converged after 6 iterations. iteration 1420: trace = 2.451789422896341 (3.678e-10% change) large trace change predicted (8.38613e-10%) linmin: converged after 18 iterations. iteration 1421: trace = 2.451789422875778 (8.38698e-10% change) linmin: converged after 3 iterations. iteration 1422: trace = 2.451789422867521 (3.36772e-10% change) linmin: converged after 10 iterations. iteration 1423: trace = 2.4517894228527 (6.04481e-10% change) linmin: converged after 19 iterations. iteration 1424: trace = 2.451789422834906 (7.25782e-10% change) linmin: converged after 4 iterations. iteration 1425: trace = 2.451789422830581 (1.76365e-10% change) linmin: converged after 6 iterations. iteration 1426: trace = 2.451789422826161 (1.80295e-10% change) linmin: converged after 12 iterations. iteration 1427: trace = 2.45178942281844 (3.1491e-10% change) linmin: converged after 5 iterations. iteration 1428: trace = 2.451789422816662 (7.25058e-11% change) Finished solving for bands 1 to 10 after 1428 iterations. tmfreqs:, 3, 0.333333, 0, 0, 0.333333, 0.194655, 0.331458, 0.361679, 0.377947, 0.502693, 0.506755, 0.527227, 0.633335, 0.644215, 0.653287 elapsed time for k point: 17.931602239608765 solve_kpoint (0.5,0,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.528836134270658 (1.93409% change) linmin: converged after 4 iterations. iteration 2: trace = 2.510710810567917 (0.719324% change) linmin: converged after 4 iterations. iteration 3: trace = 2.494945478224396 (0.629901% change) linmin: converged after 4 iterations. iteration 4: trace = 2.491433619084531 (0.140858% change) large trace change predicted (0.375525%) linmin: converged after 9 iterations. iteration 5: trace = 2.481386223449483 (0.404092% change) linmin: converged after 4 iterations. iteration 6: trace = 2.478821683400874 (0.103405% change) linmin: converged after 4 iterations. iteration 7: trace = 2.475784108910963 (0.122616% change) linmin: converged after 4 iterations. iteration 8: trace = 2.47342152895137 (0.0954731% change) linmin: converged after 4 iterations. iteration 9: trace = 2.472471533890234 (0.0384155% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47106907132682 (0.0567392% change) linmin: converged after 4 iterations. iteration 11: trace = 2.470689308827395 (0.0153695% change) large trace change predicted (0.0415688%) linmin: converged after 4 iterations. iteration 12: trace = 2.469653285759598 (0.0419413% change) linmin: converged after 4 iterations. iteration 13: trace = 2.469044058138818 (0.0246716% change) linmin: converged after 3 iterations. iteration 14: trace = 2.468577431161618 (0.0189009% change) linmin: converged after 4 iterations. iteration 15: trace = 2.467728655941253 (0.0343891% change) linmin: converged after 3 iterations. iteration 16: trace = 2.467452972912819 (0.0111722% change) large trace change predicted (0.0408236%) linmin: converged after 4 iterations. iteration 17: trace = 2.466432198644252 (0.0413781% change) linmin: converged after 4 iterations. iteration 18: trace = 2.46614376303753 (0.0116951% change) linmin: converged after 4 iterations. iteration 19: trace = 2.465689780835783 (0.0184103% change) linmin: converged after 4 iterations. iteration 20: trace = 2.465064628931712 (0.0253573% change) linmin: converged after 3 iterations. iteration 21: trace = 2.464844088512526 (0.00894704% change) large trace change predicted (0.0298107%) linmin: converged after 4 iterations. iteration 22: trace = 2.464107093730162 (0.0299047% change) linmin: converged after 5 iterations. iteration 23: trace = 2.463924821317125 (0.00739737% change) large trace change predicted (0.0205069%) linmin: converged after 3 iterations. iteration 24: trace = 2.463417676466141 (0.0205849% change) linmin: converged after 4 iterations. iteration 25: trace = 2.462917918886174 (0.0202892% change) linmin: converged after 4 iterations. iteration 26: trace = 2.462692793520248 (0.00914101% change) large trace change predicted (0.0279874%) linmin: converged after 4 iterations. iteration 27: trace = 2.462009410704481 (0.0277533% change) linmin: converged after 4 iterations. iteration 28: trace = 2.461750459728039 (0.0105184% change) large trace change predicted (0.0224555%) linmin: converged after 4 iterations. iteration 29: trace = 2.461203449306537 (0.0222229% change) linmin: converged after 4 iterations. iteration 30: trace = 2.460687241316449 (0.020976% change) linmin: converged after 4 iterations. iteration 31: trace = 2.460471967293356 (0.00874892% change) large trace change predicted (0.0259488%) linmin: converged after 4 iterations. iteration 32: trace = 2.459845011813007 (0.0254844% change) linmin: converged after 4 iterations. iteration 33: trace = 2.459427659459783 (0.0169681% change) linmin: converged after 4 iterations. iteration 34: trace = 2.459157455079938 (0.0109871% change) large trace change predicted (0.0241658%) linmin: converged after 6 iterations. iteration 35: trace = 2.458586709943367 (0.0232117% change) linmin: converged after 3 iterations. iteration 36: trace = 2.458222137346353 (0.0148296% change) linmin: converged after 4 iterations. iteration 37: trace = 2.45785999435421 (0.014733% change) linmin: converged after 8 iterations. iteration 38: trace = 2.457513632981111 (0.014093% change) linmin: converged after 4 iterations. iteration 39: trace = 2.457345367945684 (0.0068472% change) linmin: converged after 5 iterations. iteration 40: trace = 2.457030159100321 (0.012828% change) linmin: converged after 4 iterations. iteration 41: trace = 2.456936972282718 (0.00379273% change) linmin: converged after 4 iterations. iteration 42: trace = 2.456770588243581 (0.00677224% change) linmin: converged after 4 iterations. iteration 43: trace = 2.456644639654053 (0.00512672% change) linmin: converged after 4 iterations. iteration 44: trace = 2.456574678584251 (0.00284787% change) large trace change predicted (0.00679001%) linmin: converged after 4 iterations. iteration 45: trace = 2.456409643090212 (0.00671834% change) linmin: converged after 4 iterations. iteration 46: trace = 2.456322083882434 (0.00356458% change) linmin: converged after 4 iterations. iteration 47: trace = 2.456237757309787 (0.0034331% change) linmin: converged after 3 iterations. iteration 48: trace = 2.456190236781592 (0.00193471% change) large trace change predicted (0.00555275%) linmin: converged after 4 iterations. iteration 49: trace = 2.456054113877792 (0.00554219% change) linmin: converged after 4 iterations. iteration 50: trace = 2.456008216708386 (0.00186875% change) large trace change predicted (0.00438811%) linmin: converged after 4 iterations. iteration 51: trace = 2.455900264779816 (0.00439552% change) linmin: converged after 3 iterations. iteration 52: trace = 2.455832002640181 (0.00277955% change) linmin: converged after 3 iterations. iteration 53: trace = 2.455712148285059 (0.00488052% change) linmin: converged after 3 iterations. iteration 54: trace = 2.45566480562526 (0.00192788% change) large trace change predicted (0.00469265%) linmin: converged after 3 iterations. iteration 55: trace = 2.455549041362796 (0.00471428% change) linmin: converged after 3 iterations. iteration 56: trace = 2.455472533590854 (0.00311576% change) linmin: converged after 4 iterations. iteration 57: trace = 2.455355048982745 (0.00478472% change) linmin: converged after 4 iterations. iteration 58: trace = 2.455240128514053 (0.00468051% change) linmin: converged after 3 iterations. iteration 59: trace = 2.455056447621675 (0.00748146% change) linmin: converged after 3 iterations. iteration 60: trace = 2.454878655275191 (0.00724215% change) linmin: converged after 3 iterations. iteration 61: trace = 2.454746446845817 (0.00538568% change) linmin: converged after 3 iterations. iteration 62: trace = 2.454558467425849 (0.00765809% change) linmin: converged after 3 iterations. iteration 63: trace = 2.454455967076481 (0.00417601% change) large trace change predicted (0.00930712%) linmin: converged after 4 iterations. iteration 64: trace = 2.454225787170495 (0.00937848% change) linmin: converged after 3 iterations. iteration 65: trace = 2.454124726566585 (0.0041179% change) linmin: converged after 3 iterations. iteration 66: trace = 2.45393768415976 (0.00762184% change) linmin: converged after 5 iterations. iteration 67: trace = 2.453808635086515 (0.005259% change) linmin: converged after 6 iterations. iteration 68: trace = 2.4536224657201 (0.00758724% change) linmin: converged after 3 iterations. iteration 69: trace = 2.453501999729609 (0.00490984% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.453442737777944 (0.00241543% change) large trace change predicted (0.0062458%) linmin: converged after 4 iterations. iteration 71: trace = 2.453289568241044 (0.00624324% change) linmin: converged after 4 iterations. iteration 72: trace = 2.453139306423369 (0.0061251% change) linmin: converged after 3 iterations. iteration 73: trace = 2.453047313953293 (0.00375006% change) large trace change predicted (0.00966974%) linmin: converged after 4 iterations. iteration 74: trace = 2.452810838247347 (0.00964054% change) linmin: converged after 4 iterations. iteration 75: trace = 2.452613248556677 (0.00805597% change) linmin: converged after 6 iterations. iteration 76: trace = 2.452556218941359 (0.00232529% change) large trace change predicted (0.00551883%) linmin: converged after 4 iterations. iteration 77: trace = 2.452421478379425 (0.00549403% change) linmin: converged after 4 iterations. iteration 78: trace = 2.452337884184689 (0.0034087% change) linmin: converged after 4 iterations. iteration 79: trace = 2.452304255799918 (0.00137129% change) large trace change predicted (0.00452288%) linmin: converged after 4 iterations. iteration 80: trace = 2.452193445071391 (0.00451874% change) linmin: converged after 3 iterations. iteration 81: trace = 2.452083136881207 (0.00449845% change) linmin: converged after 7 iterations. iteration 82: trace = 2.452049770136486 (0.00136076% change) large trace change predicted (0.0042555%) linmin: converged after 6 iterations. iteration 83: trace = 2.451945081868034 (0.00426951% change) linmin: converged after 3 iterations. iteration 84: trace = 2.451875788529541 (0.0028261% change) linmin: converged after 3 iterations. iteration 85: trace = 2.451838601374629 (0.00151669% change) large trace change predicted (0.00517262%) linmin: converged after 3 iterations. iteration 86: trace = 2.451711203848058 (0.00519613% change) linmin: converged after 3 iterations. iteration 87: trace = 2.451670300587416 (0.00166837% change) linmin: converged after 3 iterations. iteration 88: trace = 2.451615303884502 (0.00224326% change) linmin: converged after 3 iterations. iteration 89: trace = 2.451565394548157 (0.00203579% change) linmin: converged after 3 iterations. iteration 90: trace = 2.451542779719338 (0.000922469% change) large trace change predicted (0.00192441%) linmin: converged after 3 iterations. iteration 91: trace = 2.451495500035742 (0.00192859% change) linmin: converged after 3 iterations. iteration 92: trace = 2.451437382440417 (0.00237073% change) linmin: converged after 8 iterations. iteration 93: trace = 2.451416418763382 (0.000855162% change) linmin: converged after 3 iterations. iteration 94: trace = 2.451379675107484 (0.00149889% change) linmin: converged after 3 iterations. iteration 95: trace = 2.451330789677618 (0.00199422% change) linmin: converged after 4 iterations. iteration 96: trace = 2.451319966066881 (0.000441541% change) large trace change predicted (0.00157751%) linmin: converged after 3 iterations. iteration 97: trace = 2.451281182459109 (0.00158216% change) linmin: converged after 3 iterations. iteration 98: trace = 2.451251800497511 (0.00119864% change) linmin: converged after 3 iterations. iteration 99: trace = 2.451242344896484 (0.000385747% change) large trace change predicted (0.00130213%) linmin: converged after 3 iterations. iteration 100: trace = 2.451210407991036 (0.00130289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.451185124632041 (0.00103147% change) linmin: converged after 5 iterations. iteration 102: trace = 2.451169451345729 (0.000639419% change) large trace change predicted (0.00233857%) linmin: converged after 6 iterations. iteration 103: trace = 2.451112170428599 (0.00233691% change) linmin: converged after 4 iterations. iteration 104: trace = 2.451069633666593 (0.00173542% change) linmin: converged after 3 iterations. iteration 105: trace = 2.45101419436472 (0.00226187% change) linmin: converged after 4 iterations. iteration 106: trace = 2.450936180186137 (0.00318299% change) linmin: converged after 3 iterations. iteration 107: trace = 2.450891384751166 (0.0018277% change) linmin: converged after 4 iterations. iteration 108: trace = 2.450830392263574 (0.00248861% change) linmin: converged after 3 iterations. iteration 109: trace = 2.450789550353348 (0.00166647% change) linmin: converged after 5 iterations. iteration 110: trace = 2.450776635805771 (0.000526956% change) large trace change predicted (0.00118372%) linmin: converged after 4 iterations. iteration 111: trace = 2.450747619874162 (0.00118396% change) linmin: converged after 3 iterations. iteration 112: trace = 2.450708423724478 (0.00159937% change) linmin: converged after 3 iterations. iteration 113: trace = 2.450695634228722 (0.000521871% change) large trace change predicted (0.00227149%) linmin: converged after 3 iterations. iteration 114: trace = 2.450639896131186 (0.0022744% change) linmin: converged after 3 iterations. iteration 115: trace = 2.450616660757847 (0.000948139% change) linmin: converged after 4 iterations. iteration 116: trace = 2.450596720659853 (0.00081368% change) linmin: converged after 3 iterations. iteration 117: trace = 2.450567520338584 (0.00119157% change) linmin: converged after 5 iterations. iteration 118: trace = 2.450559845694543 (0.000313179% change) linmin: converged after 4 iterations. iteration 119: trace = 2.450544542488024 (0.00062448% change) linmin: converged after 3 iterations. iteration 120: trace = 2.450517955683939 (0.00108494% change) linmin: converged after 3 iterations. iteration 121: trace = 2.450507948005563 (0.000408391% change) large trace change predicted (0.00138501%) linmin: converged after 6 iterations. iteration 122: trace = 2.450474036353508 (0.00138387% change) linmin: converged after 4 iterations. iteration 123: trace = 2.450413225406624 (0.00248163% change) linmin: converged after 4 iterations. iteration 124: trace = 2.450399681485597 (0.000552721% change) large trace change predicted (0.00263766%) linmin: converged after 4 iterations. iteration 125: trace = 2.450335181533825 (0.00263226% change) linmin: converged after 5 iterations. iteration 126: trace = 2.450316111935002 (0.000778248% change) large trace change predicted (0.00253353%) linmin: converged after 4 iterations. iteration 127: trace = 2.450254091458041 (0.00253115% change) linmin: converged after 3 iterations. iteration 128: trace = 2.450208039654496 (0.00187949% change) linmin: converged after 4 iterations. iteration 129: trace = 2.450189708812981 (0.000748137% change) large trace change predicted (0.0021763%) linmin: converged after 4 iterations. iteration 130: trace = 2.450136474059319 (0.0021727% change) linmin: converged after 3 iterations. iteration 131: trace = 2.450076349204774 (0.00245397% change) linmin: converged after 4 iterations. iteration 132: trace = 2.450058513417881 (0.000727971% change) linmin: converged after 4 iterations. iteration 133: trace = 2.450024248881852 (0.00139853% change) linmin: converged after 6 iterations. iteration 134: trace = 2.449978331020753 (0.0018742% change) linmin: converged after 3 iterations. iteration 135: trace = 2.449968683814162 (0.000393768% change) large trace change predicted (0.00120393%) linmin: converged after 4 iterations. iteration 136: trace = 2.44993918183586 (0.00120419% change) linmin: converged after 4 iterations. iteration 137: trace = 2.44991956824943 (0.000800578% change) linmin: converged after 4 iterations. iteration 138: trace = 2.449912819881661 (0.000275453% change) linmin: converged after 3 iterations. iteration 139: trace = 2.449900501589036 (0.000502807% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.449894807456253 (0.000232423% change) linmin: converged after 3 iterations. iteration 141: trace = 2.44989218038971 (0.000107232% change) large trace change predicted (0.000347579%) linmin: converged after 4 iterations. iteration 142: trace = 2.449883664285972 (0.000347612% change) linmin: converged after 3 iterations. iteration 143: trace = 2.449876668837769 (0.000285542% change) linmin: converged after 4 iterations. iteration 144: trace = 2.449872015836894 (0.000189928% change) large trace change predicted (0.00069959%) linmin: converged after 4 iterations. iteration 145: trace = 2.449854848356567 (0.000700753% change) linmin: converged after 4 iterations. iteration 146: trace = 2.449848307803675 (0.000266978% change) linmin: converged after 3 iterations. iteration 147: trace = 2.449839702844577 (0.000351245% change) linmin: converged after 3 iterations. iteration 148: trace = 2.449826658581972 (0.000532455% change) linmin: converged after 3 iterations. iteration 149: trace = 2.449819979284587 (0.000272644% change) linmin: converged after 3 iterations. iteration 150: trace = 2.449813505447425 (0.000264258% change) linmin: converged after 3 iterations. iteration 151: trace = 2.449804579850275 (0.000364338% change) linmin: converged after 3 iterations. iteration 152: trace = 2.449797600286897 (0.000284903% change) linmin: converged after 3 iterations. iteration 153: trace = 2.44978969985222 (0.000322494% change) linmin: converged after 3 iterations. iteration 154: trace = 2.449775013132724 (0.000599511% change) linmin: converged after 3 iterations. iteration 155: trace = 2.449770908070022 (0.000167569% change) large trace change predicted (0.000429085%) linmin: converged after 3 iterations. iteration 156: trace = 2.4497603962631 (0.000429094% change) linmin: converged after 3 iterations. iteration 157: trace = 2.449754428439246 (0.000243609% change) linmin: converged after 9 iterations. iteration 158: trace = 2.449751678654519 (0.000112247% change) linmin: converged after 3 iterations. iteration 159: trace = 2.449747900517055 (0.000154225% change) linmin: converged after 3 iterations. iteration 160: trace = 2.449743866276483 (0.00016468% change) linmin: converged after 2 iterations. iteration 161: trace = 2.449742696839385 (4.77371e-05% change) large trace change predicted (0.000193751%) linmin: converged after 3 iterations. iteration 162: trace = 2.449737950163642 (0.000193762% change) linmin: converged after 3 iterations. iteration 163: trace = 2.449731593356187 (0.00025949% change) linmin: converged after 3 iterations. iteration 164: trace = 2.449729528942611 (8.4271e-05% change) large trace change predicted (0.000360113%) linmin: converged after 4 iterations. iteration 165: trace = 2.449720701149677 (0.000360359% change) linmin: converged after 4 iterations. iteration 166: trace = 2.449713846129236 (0.000279829% change) linmin: converged after 4 iterations. iteration 167: trace = 2.449711540764405 (9.41076e-05% change) large trace change predicted (0.000273551%) linmin: converged after 3 iterations. iteration 168: trace = 2.449704837156106 (0.000273649% change) linmin: converged after 3 iterations. iteration 169: trace = 2.449697310566911 (0.000307245% change) linmin: converged after 3 iterations. iteration 170: trace = 2.449695044519953 (9.25032e-05% change) large trace change predicted (0.000343592%) linmin: converged after 3 iterations. iteration 171: trace = 2.449686617793979 (0.000343991% change) linmin: converged after 3 iterations. iteration 172: trace = 2.449677838280267 (0.000358394% change) linmin: converged after 4 iterations. iteration 173: trace = 2.449674403276298 (0.000140223% change) large trace change predicted (0.000280535%) linmin: converged after 5 iterations. iteration 174: trace = 2.449667524592512 (0.0002808% change) linmin: converged after 4 iterations. iteration 175: trace = 2.449659843868781 (0.000313542% change) linmin: converged after 3 iterations. iteration 176: trace = 2.449657785869432 (8.40117e-05% change) large trace change predicted (0.000240541%) linmin: converged after 4 iterations. iteration 177: trace = 2.449651893919608 (0.000240522% change) linmin: converged after 3 iterations. iteration 178: trace = 2.449647775934057 (0.000168105% change) linmin: converged after 3 iterations. iteration 179: trace = 2.449645788577494 (8.11283e-05% change) large trace change predicted (0.000190697%) linmin: converged after 4 iterations. iteration 180: trace = 2.449641119065572 (0.00019062% change) linmin: converged after 5 iterations. iteration 181: trace = 2.449636565772971 (0.000185876% change) linmin: converged after 4 iterations. iteration 182: trace = 2.44963438518716 (8.90167e-05% change) large trace change predicted (0.000269165%) linmin: converged after 4 iterations. iteration 183: trace = 2.449627808941738 (0.000268459% change) linmin: converged after 5 iterations. iteration 184: trace = 2.449623518946007 (0.000175129% change) linmin: converged after 6 iterations. iteration 185: trace = 2.449619990401048 (0.000144044% change) large trace change predicted (0.000335612%) linmin: converged after 4 iterations. iteration 186: trace = 2.449611786240418 (0.000334916% change) linmin: converged after 4 iterations. iteration 187: trace = 2.449608182807687 (0.000147102% change) linmin: converged after 3 iterations. iteration 188: trace = 2.449605423969706 (0.000112624% change) large trace change predicted (0.000303692%) linmin: converged after 8 iterations. iteration 189: trace = 2.449597989999981 (0.000303477% change) linmin: converged after 4 iterations. iteration 190: trace = 2.449593731575493 (0.000173842% change) linmin: converged after 4 iterations. iteration 191: trace = 2.449588319829075 (0.000220924% change) large trace change predicted (0.000564295%) linmin: converged after 3 iterations. iteration 192: trace = 2.449574492403736 (0.000564481% change) linmin: converged after 7 iterations. iteration 193: trace = 2.44957168133793 (0.000114757% change) large trace change predicted (0.000469169%) linmin: converged after 3 iterations. iteration 194: trace = 2.44956017309008 (0.000469808% change) linmin: converged after 3 iterations. iteration 195: trace = 2.449553382156658 (0.000277231% change) linmin: converged after 3 iterations. iteration 196: trace = 2.449550713519895 (0.000108944% change) linmin: converged after 5 iterations. iteration 197: trace = 2.449545924429994 (0.000195509% change) linmin: converged after 3 iterations. iteration 198: trace = 2.449540218602736 (0.000232934% change) linmin: converged after 3 iterations. iteration 199: trace = 2.449538417206486 (7.35402e-05% change) large trace change predicted (0.000254779%) linmin: converged after 3 iterations. iteration 200: trace = 2.449532169436838 (0.000255059% change) linmin: converged after 5 iterations. iteration 201: trace = 2.449528067861914 (0.000167443% change) linmin: converged after 3 iterations. iteration 202: trace = 2.449524503640031 (0.000145507% change) large trace change predicted (0.000362752%) linmin: converged after 3 iterations. iteration 203: trace = 2.449515610964782 (0.000363037% change) linmin: converged after 3 iterations. iteration 204: trace = 2.449507041026361 (0.000349863% change) linmin: converged after 3 iterations. iteration 205: trace = 2.449500347649236 (0.000273254% change) linmin: converged after 3 iterations. iteration 206: trace = 2.44949265562893 (0.000314025% change) linmin: converged after 3 iterations. iteration 207: trace = 2.449486583240246 (0.000247904% change) linmin: converged after 6 iterations. iteration 208: trace = 2.449478073971598 (0.00034739% change) linmin: converged after 3 iterations. iteration 209: trace = 2.449461103627731 (0.000692817% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.449458112690228 (0.000122106% change) linmin: converged after 3 iterations. iteration 211: trace = 2.449453772688644 (0.000177182% change) linmin: converged after 4 iterations. iteration 212: trace = 2.449448028949936 (0.000234491% change) linmin: converged after 3 iterations. iteration 213: trace = 2.449446164243894 (7.61276e-05% change) large trace change predicted (0.000169819%) linmin: converged after 3 iterations. iteration 214: trace = 2.449442005059232 (0.000169801% change) linmin: converged after 4 iterations. iteration 215: trace = 2.44943687769927 (0.000209328% change) linmin: converged after 3 iterations. iteration 216: trace = 2.449435878329478 (4.08e-05% change) large trace change predicted (0.000117212%) linmin: converged after 3 iterations. iteration 217: trace = 2.449433007876016 (0.000117188% change) linmin: converged after 3 iterations. iteration 218: trace = 2.449431278028424 (7.06224e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.449430729737943 (2.23844e-05% change) large trace change predicted (7.94434e-05%) linmin: converged after 3 iterations. iteration 220: trace = 2.449428784156017 (7.943e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.449427093991445 (6.90024e-05% change) linmin: converged after 5 iterations. iteration 222: trace = 2.44942620850447 (3.61508e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.449424545631271 (6.78883e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.449422508885449 (8.3152e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 2.449421379553375 (4.61061e-05% change) large trace change predicted (0.000127276%) linmin: converged after 3 iterations. iteration 226: trace = 2.449418262715337 (0.000127248% change) linmin: converged after 3 iterations. iteration 227: trace = 2.449416362177955 (7.75914e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.449415227517519 (4.63237e-05% change) large trace change predicted (0.000127924%) linmin: converged after 3 iterations. iteration 229: trace = 2.449412093136151 (0.000127965% change) linmin: converged after 3 iterations. iteration 230: trace = 2.449410383381101 (6.98027e-05% change) linmin: converged after 5 iterations. iteration 231: trace = 2.449408557909533 (7.4527e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.449406557521023 (8.16683e-05% change) linmin: converged after 3 iterations. iteration 233: trace = 2.449405121466212 (5.86287e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.449404283427615 (3.4214e-05% change) large trace change predicted (8.22352e-05%) linmin: converged after 3 iterations. iteration 235: trace = 2.449402267249879 (8.2313e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.449400604098859 (6.79003e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.449399711006797 (3.64617e-05% change) linmin: converged after 3 iterations. iteration 238: trace = 2.449398559350344 (4.70179e-05% change) linmin: converged after 3 iterations. iteration 239: trace = 2.449397676324221 (3.60507e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.449397140248872 (2.1886e-05% change) linmin: converged after 4 iterations. iteration 241: trace = 2.449396141907888 (4.07586e-05% change) linmin: converged after 4 iterations. iteration 242: trace = 2.449395682477338 (1.87569e-05% change) linmin: converged after 2 iterations. iteration 243: trace = 2.449394822468462 (3.51111e-05% change) linmin: converged after 5 iterations. iteration 244: trace = 2.449393696944044 (4.59511e-05% change) linmin: converged after 4 iterations. iteration 245: trace = 2.44939297320229 (2.95478e-05% change) linmin: converged after 3 iterations. iteration 246: trace = 2.449391733958175 (5.05939e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 2.449389699471952 (8.30609e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.449389283936811 (1.69648e-05% change) large trace change predicted (5.17013e-05%) linmin: converged after 5 iterations. iteration 249: trace = 2.449388017709373 (5.16957e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.449386829212846 (4.85222e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.449386452552643 (1.53777e-05% change) large trace change predicted (8.24551e-05%) linmin: converged after 3 iterations. iteration 252: trace = 2.449384434064409 (8.24079e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.449383219451633 (4.95885e-05% change) linmin: converged after 5 iterations. iteration 254: trace = 2.449382685119716 (2.1815e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.449381793483696 (3.64025e-05% change) linmin: converged after 4 iterations. iteration 256: trace = 2.44938076716259 (4.19012e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.449380244097084 (2.1355e-05% change) large trace change predicted (4.27653e-05%) linmin: converged after 18 iterations. iteration 258: trace = 2.449379196604692 (4.27656e-05% change) linmin: converged after 5 iterations. iteration 259: trace = 2.449378424706657 (3.1514e-05% change) linmin: converged after 4 iterations. iteration 260: trace = 2.44937786277698 (2.29417e-05% change) linmin: converged after 8 iterations. iteration 261: trace = 2.449377057286336 (3.28855e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.449376176118371 (3.59752e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.449375556948499 (2.52787e-05% change) large trace change predicted (6.35408e-05%) linmin: converged after 3 iterations. iteration 264: trace = 2.449374001064563 (6.35217e-05% change) linmin: converged after 4 iterations. iteration 265: trace = 2.44937332091431 (2.77683e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.449371976692729 (5.48802e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.449369845323015 (8.7017e-05% change) linmin: converged after 5 iterations. iteration 268: trace = 2.449369361660958 (1.97464e-05% change) large trace change predicted (5.89099e-05%) linmin: converged after 5 iterations. iteration 269: trace = 2.449367919423626 (5.8882e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.449366777428375 (4.66241e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.44936642983688 (1.41911e-05% change) linmin: converged after 3 iterations. iteration 272: trace = 2.449365765809774 (2.71102e-05% change) linmin: converged after 3 iterations. iteration 273: trace = 2.449364508576624 (5.13289e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.449364200448629 (1.25799e-05% change) large trace change predicted (5.33552e-05%) linmin: converged after 5 iterations. iteration 275: trace = 2.449362893431199 (5.33615e-05% change) linmin: converged after 4 iterations. iteration 276: trace = 2.44936201234216 (3.59722e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.449361775835222 (9.65586e-06% change) large trace change predicted (3.25564e-05%) linmin: converged after 4 iterations. iteration 278: trace = 2.449360978372377 (3.2558e-05% change) linmin: converged after 3 iterations. iteration 279: trace = 2.449360489669767 (1.99523e-05% change) resetting CG direction... linmin: converged after 6 iterations. iteration 280: trace = 2.44936035885647 (5.34071e-06% change) large trace change predicted (1.13115e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.449360081788123 (1.13119e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.449359715255381 (1.49644e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.44935946612994 (1.0171e-05% change) large trace change predicted (2.89618e-05%) linmin: converged after 3 iterations. iteration 284: trace = 2.44935875664032 (2.89663e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.44935780750131 (3.87505e-05% change) linmin: converged after 3 iterations. iteration 286: trace = 2.449357444958249 (1.48016e-05% change) large trace change predicted (3.94878e-05%) linmin: converged after 3 iterations. iteration 287: trace = 2.449356477601795 (3.94943e-05% change) linmin: converged after 5 iterations. iteration 288: trace = 2.449356173267169 (1.24251e-05% change) linmin: converged after 3 iterations. iteration 289: trace = 2.449355809229161 (1.48626e-05% change) large trace change predicted (3.10951e-05%) linmin: converged after 4 iterations. iteration 290: trace = 2.449355047525901 (3.10981e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.449354291692601 (3.08585e-05% change) linmin: converged after 3 iterations. iteration 292: trace = 2.449353777418593 (2.09963e-05% change) large trace change predicted (4.27282e-05%) linmin: converged after 4 iterations. iteration 293: trace = 2.449352730675097 (4.27355e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.44935189967874 (3.39272e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.449351602363635 (1.21385e-05% change) large trace change predicted (3.70076e-05%) linmin: converged after 4 iterations. iteration 296: trace = 2.449350695758482 (3.70141e-05% change) linmin: converged after 2 iterations. iteration 297: trace = 2.449350445131554 (1.02324e-05% change) linmin: converged after 4 iterations. iteration 298: trace = 2.449349958064664 (1.98856e-05% change) linmin: converged after 4 iterations. iteration 299: trace = 2.449349570822366 (1.581e-05% change) linmin: converged after 3 iterations. iteration 300: trace = 2.449349258376479 (1.27563e-05% change) linmin: converged after 3 iterations. iteration 301: trace = 2.449348903416984 (1.4492e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.44934828034559 (2.54382e-05% change) linmin: converged after 3 iterations. iteration 303: trace = 2.449348047013652 (9.52629e-06% change) large trace change predicted (2.67784e-05%) linmin: converged after 7 iterations. iteration 304: trace = 2.449347391096997 (2.67792e-05% change) linmin: converged after 5 iterations. iteration 305: trace = 2.449346772318718 (2.5263e-05% change) linmin: converged after 3 iterations. iteration 306: trace = 2.449346251653882 (2.12573e-05% change) linmin: converged after 4 iterations. iteration 307: trace = 2.449345928796927 (1.31814e-05% change) large trace change predicted (3.13854e-05%) linmin: converged after 4 iterations. iteration 308: trace = 2.449345159908831 (3.13916e-05% change) linmin: converged after 3 iterations. iteration 309: trace = 2.449344700007341 (1.87765e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.449344461723959 (9.72845e-06% change) large trace change predicted (2.59965e-05%) linmin: converged after 3 iterations. iteration 311: trace = 2.449343824905439 (2.59996e-05% change) linmin: converged after 13 iterations. iteration 312: trace = 2.449343407993338 (1.70214e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.449342805493095 (2.45984e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.44934203354582 (3.15165e-05% change) linmin: converged after 3 iterations. iteration 315: trace = 2.449341678730135 (1.44862e-05% change) linmin: converged after 5 iterations. iteration 316: trace = 2.44934140149551 (1.13187e-05% change) large trace change predicted (2.43969e-05%) linmin: converged after 6 iterations. iteration 317: trace = 2.44934080397584 (2.43951e-05% change) linmin: converged after 3 iterations. iteration 318: trace = 2.449340702299089 (4.15119e-06% change) large trace change predicted (1.53921e-05%) linmin: converged after 6 iterations. iteration 319: trace = 2.449340325357353 (1.53895e-05% change) linmin: converged after 5 iterations. iteration 320: trace = 2.449339981074667 (1.40561e-05% change) linmin: converged after 8 iterations. iteration 321: trace = 2.449339788744149 (7.85234e-06% change) large trace change predicted (2.02789e-05%) linmin: converged after 4 iterations. iteration 322: trace = 2.449339292252254 (2.02704e-05% change) linmin: converged after 7 iterations. iteration 323: trace = 2.44933842160769 (3.55461e-05% change) linmin: converged after 16 iterations. iteration 324: trace = 2.449338186363222 (9.60441e-06% change) large trace change predicted (1.98379e-05%) linmin: converged after 3 iterations. iteration 325: trace = 2.449337700681085 (1.98291e-05% change) linmin: converged after 3 iterations. iteration 326: trace = 2.449337031157789 (2.73349e-05% change) linmin: converged after 2 iterations. iteration 327: trace = 2.449336828199743 (8.28624e-06% change) large trace change predicted (2.8027e-05%) linmin: converged after 7 iterations. iteration 328: trace = 2.449336141930802 (2.80186e-05% change) linmin: converged after 4 iterations. iteration 329: trace = 2.449335000529667 (4.66004e-05% change) linmin: converged after 6 iterations. iteration 330: trace = 2.449334697911085 (1.23551e-05% change) large trace change predicted (4.78638e-05%) linmin: converged after 4 iterations. iteration 331: trace = 2.449333525369122 (4.78719e-05% change) linmin: converged after 4 iterations. iteration 332: trace = 2.449332696693291 (3.38327e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.449332281081491 (1.69684e-05% change) large trace change predicted (3.54123e-05%) linmin: converged after 4 iterations. iteration 334: trace = 2.449331413512703 (3.54206e-05% change) linmin: converged after 4 iterations. iteration 335: trace = 2.449330622941821 (3.2277e-05% change) linmin: converged after 3 iterations. iteration 336: trace = 2.449330428852425 (7.92418e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.449330054764462 (1.52731e-05% change) linmin: converged after 3 iterations. iteration 338: trace = 2.449329577707699 (1.9477e-05% change) linmin: converged after 12 iterations. iteration 339: trace = 2.449329458124164 (4.8823e-06% change) large trace change predicted (2.24194e-05%) linmin: converged after 3 iterations. iteration 340: trace = 2.449328908915495 (2.24228e-05% change) linmin: converged after 4 iterations. iteration 341: trace = 2.449328374324598 (2.1826e-05% change) linmin: converged after 4 iterations. iteration 342: trace = 2.449328131852412 (9.89954e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.44932765071075 (1.96438e-05% change) large trace change predicted (4.09563e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.449326647324357 (4.09658e-05% change) linmin: converged after 3 iterations. iteration 345: trace = 2.449326292401046 (1.44906e-05% change) large trace change predicted (4.28457e-05%) linmin: converged after 4 iterations. iteration 346: trace = 2.449325242652457 (4.28587e-05% change) linmin: converged after 4 iterations. iteration 347: trace = 2.449324565108769 (2.76625e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.449324247739938 (1.29574e-05% change) large trace change predicted (6.52592e-05%) linmin: converged after 3 iterations. iteration 349: trace = 2.449322648755448 (6.52827e-05% change) resetting CG direction... linmin: converged after 10 iterations. iteration 350: trace = 2.44932182330082 (3.37013e-05% change) linmin: converged after 5 iterations. iteration 351: trace = 2.449321538657195 (1.16213e-05% change) large trace change predicted (2.70756e-05%) linmin: converged after 10 iterations. iteration 352: trace = 2.44932087548005 (2.7076e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.449320415058727 (1.87979e-05% change) linmin: converged after 2 iterations. iteration 354: trace = 2.449320089926187 (1.32744e-05% change) large trace change predicted (3.06443e-05%) linmin: converged after 4 iterations. iteration 355: trace = 2.449319339410571 (3.06418e-05% change) linmin: converged after 3 iterations. iteration 356: trace = 2.449319050758693 (1.1785e-05% change) linmin: converged after 4 iterations. iteration 357: trace = 2.449318841369459 (8.54888e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.449318525134029 (1.29112e-05% change) linmin: converged after 4 iterations. iteration 359: trace = 2.449318339437406 (7.58156e-06% change) linmin: converged after 5 iterations. iteration 360: trace = 2.449318141226692 (8.09249e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.44931787948778 (1.06862e-05% change) linmin: converged after 5 iterations. iteration 362: trace = 2.44931770640425 (7.0666e-06% change) linmin: converged after 5 iterations. iteration 363: trace = 2.449317560495567 (5.95712e-06% change) large trace change predicted (1.60532e-05%) linmin: converged after 5 iterations. iteration 364: trace = 2.44931716739285 (1.60495e-05% change) linmin: converged after 4 iterations. iteration 365: trace = 2.449316941746309 (9.21263e-06% change) linmin: converged after 3 iterations. iteration 366: trace = 2.449316538167191 (1.64772e-05% change) linmin: converged after 6 iterations. iteration 367: trace = 2.449316176695425 (1.47581e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.449315946222193 (9.4097e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.449315506213344 (1.79646e-05% change) linmin: converged after 10 iterations. iteration 370: trace = 2.449314980645124 (2.14578e-05% change) linmin: converged after 4 iterations. iteration 371: trace = 2.449314813028352 (6.84341e-06% change) large trace change predicted (1.37181e-05%) linmin: converged after 3 iterations. iteration 372: trace = 2.449314477003282 (1.37191e-05% change) linmin: converged after 4 iterations. iteration 373: trace = 2.449314086267051 (1.59529e-05% change) linmin: converged after 3 iterations. iteration 374: trace = 2.449313882630461 (8.31403e-06% change) linmin: converged after 3 iterations. iteration 375: trace = 2.449313638819782 (9.95424e-06% change) linmin: converged after 4 iterations. iteration 376: trace = 2.449313274468424 (1.48757e-05% change) linmin: converged after 4 iterations. iteration 377: trace = 2.449313158039814 (4.75352e-06% change) linmin: converged after 3 iterations. iteration 378: trace = 2.44931297582067 (7.4396e-06% change) linmin: converged after 5 iterations. iteration 379: trace = 2.44931280615865 (6.92692e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.449312681184396 (5.10242e-06% change) linmin: converged after 5 iterations. iteration 381: trace = 2.4493126069395 (3.03125e-06% change) large trace change predicted (6.83387e-06%) linmin: converged after 2 iterations. iteration 382: trace = 2.449312439554117 (6.83397e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.449312362010223 (3.16595e-06% change) linmin: converged after 7 iterations. iteration 384: trace = 2.449312221693228 (5.72883e-06% change) large trace change predicted (1.2079e-05%) linmin: converged after 3 iterations. iteration 385: trace = 2.449311925884899 (1.20772e-05% change) linmin: converged after 3 iterations. iteration 386: trace = 2.449311787177985 (5.6631e-06% change) large trace change predicted (1.32399e-05%) linmin: converged after 5 iterations. iteration 387: trace = 2.449311462937392 (1.3238e-05% change) linmin: converged after 3 iterations. iteration 388: trace = 2.449311287172683 (7.17609e-06% change) linmin: converged after 8 iterations. iteration 389: trace = 2.449311185924481 (4.13374e-06% change) large trace change predicted (9.60227e-06%) linmin: converged after 5 iterations. iteration 390: trace = 2.449310950783617 (9.60029e-06% change) linmin: converged after 5 iterations. iteration 391: trace = 2.449310640862508 (1.26534e-05% change) linmin: converged after 7 iterations. iteration 392: trace = 2.449310564375911 (3.12278e-06% change) large trace change predicted (1.03205e-05%) linmin: converged after 3 iterations. iteration 393: trace = 2.449310311632106 (1.0319e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.449310112374825 (8.13524e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.449310036078187 (3.11503e-06% change) large trace change predicted (8.76138e-06%) linmin: converged after 4 iterations. iteration 396: trace = 2.449309821484943 (8.76138e-06% change) linmin: converged after 5 iterations. iteration 397: trace = 2.449309636933419 (7.53484e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.449309582587313 (2.21883e-06% change) large trace change predicted (7.83039e-06%) linmin: converged after 5 iterations. iteration 399: trace = 2.449309390799596 (7.83028e-06% change) linmin: converged after 5 iterations. iteration 400: trace = 2.449309275333445 (4.71423e-06% change) linmin: converged after 23 iterations. iteration 401: trace = 2.449309223830472 (2.10276e-06% change) large trace change predicted (8.60694e-06%) linmin: converged after 6 iterations. iteration 402: trace = 2.449309013034717 (8.60634e-06% change) linmin: converged after 5 iterations. iteration 403: trace = 2.449308868186215 (5.91385e-06% change) linmin: converged after 3 iterations. iteration 404: trace = 2.449308722834678 (5.93439e-06% change) linmin: converged after 9 iterations. iteration 405: trace = 2.449308522941983 (8.16119e-06% change) linmin: converged after 4 iterations. iteration 406: trace = 2.449308287529242 (9.6114e-06% change) linmin: converged after 11 iterations. iteration 407: trace = 2.449308225446371 (2.53471e-06% change) large trace change predicted (9.59192e-06%) linmin: converged after 5 iterations. iteration 408: trace = 2.449307990533196 (9.591e-06% change) linmin: converged after 2 iterations. iteration 409: trace = 2.44930786039872 (5.31311e-06% change) linmin: converged after 5 iterations. iteration 410: trace = 2.449307776754267 (3.41502e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.44930766019738 (4.75877e-06% change) linmin: converged after 4 iterations. iteration 412: trace = 2.449307480245329 (7.34706e-06% change) linmin: converged after 7 iterations. iteration 413: trace = 2.44930741895273 (2.50245e-06% change) large trace change predicted (7.13145e-06%) linmin: converged after 5 iterations. iteration 414: trace = 2.449307244315649 (7.13006e-06% change) linmin: converged after 3 iterations. iteration 415: trace = 2.449307130174472 (4.66014e-06% change) linmin: converged after 3 iterations. iteration 416: trace = 2.449307041358999 (3.62615e-06% change) linmin: converged after 6 iterations. iteration 417: trace = 2.449306907042652 (5.48385e-06% change) linmin: converged after 7 iterations. iteration 418: trace = 2.449306846411126 (2.47546e-06% change) linmin: converged after 4 iterations. iteration 419: trace = 2.449306816804892 (1.20876e-06% change) resetting CG direction... linmin: converged after 15 iterations. iteration 420: trace = 2.449306792418263 (9.95654e-07% change) linmin: converged after 5 iterations. iteration 421: trace = 2.449306755408211 (1.51104e-06% change) large trace change predicted (3.63985e-06%) linmin: converged after 6 iterations. iteration 422: trace = 2.449306666252821 (3.64003e-06% change) linmin: converged after 4 iterations. iteration 423: trace = 2.449306602136914 (2.61772e-06% change) linmin: converged after 3 iterations. iteration 424: trace = 2.449306519641126 (3.36813e-06% change) large trace change predicted (8.18725e-06%) linmin: converged after 4 iterations. iteration 425: trace = 2.44930631908724 (8.18819e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.449306271600339 (1.93879e-06% change) large trace change predicted (5.88032e-06%) linmin: converged after 5 iterations. iteration 427: trace = 2.449306127565736 (5.88063e-06% change) linmin: converged after 3 iterations. iteration 428: trace = 2.449306027614528 (4.0808e-06% change) linmin: converged after 5 iterations. iteration 429: trace = 2.449305994655025 (1.34567e-06% change) large trace change predicted (6.4049e-06%) linmin: converged after 4 iterations. iteration 430: trace = 2.449305837770847 (6.40525e-06% change) linmin: converged after 2 iterations. iteration 431: trace = 2.449305705704582 (5.39199e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.449305638951834 (2.72537e-06% change) large trace change predicted (6.01762e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.449305491556085 (6.01786e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.449305313775604 (7.2584e-06% change) linmin: converged after 3 iterations. iteration 435: trace = 2.449305256364343 (2.34398e-06% change) large trace change predicted (7.67122e-06%) linmin: converged after 3 iterations. iteration 436: trace = 2.449305068459433 (7.67176e-06% change) linmin: converged after 2 iterations. iteration 437: trace = 2.449304958419962 (4.49268e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.449304917886444 (1.6549e-06% change) large trace change predicted (3.31934e-06%) linmin: converged after 4 iterations. iteration 439: trace = 2.449304836582585 (3.31947e-06% change) linmin: converged after 4 iterations. iteration 440: trace = 2.449304711689658 (5.09912e-06% change) linmin: converged after 2 iterations. iteration 441: trace = 2.449304680326612 (1.28049e-06% change) large trace change predicted (4.22057e-06%) linmin: converged after 4 iterations. iteration 442: trace = 2.449304576941234 (4.22101e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.449304431279818 (5.94705e-06% change) linmin: converged after 8 iterations. iteration 444: trace = 2.449304383313033 (1.95838e-06% change) large trace change predicted (5.30008e-06%) linmin: converged after 3 iterations. iteration 445: trace = 2.449304253483403 (5.30067e-06% change) linmin: converged after 4 iterations. iteration 446: trace = 2.449304095098798 (6.46651e-06% change) linmin: converged after 8 iterations. iteration 447: trace = 2.449304053698725 (1.69028e-06% change) large trace change predicted (5.97949e-06%) linmin: converged after 5 iterations. iteration 448: trace = 2.449303907232898 (5.9799e-06% change) linmin: converged after 3 iterations. iteration 449: trace = 2.449303797535602 (4.47871e-06% change) linmin: converged after 3 iterations. iteration 450: trace = 2.44930373621516 (2.50359e-06% change) linmin: converged after 4 iterations. iteration 451: trace = 2.449303618741786 (4.79619e-06% change) linmin: converged after 3 iterations. iteration 452: trace = 2.449303439229621 (7.32911e-06% change) linmin: converged after 5 iterations. iteration 453: trace = 2.449303394965906 (1.8072e-06% change) large trace change predicted (6.12269e-06%) linmin: converged after 6 iterations. iteration 454: trace = 2.449303244997532 (6.1229e-06% change) linmin: converged after 18 iterations. iteration 455: trace = 2.449303125429011 (4.88174e-06% change) linmin: converged after 9 iterations. iteration 456: trace = 2.449303093838604 (1.28977e-06% change) large trace change predicted (4.80821e-06%) linmin: converged after 4 iterations. iteration 457: trace = 2.449302976074831 (4.80805e-06% change) linmin: converged after 4 iterations. iteration 458: trace = 2.449302933680515 (1.73087e-06% change) linmin: converged after 7 iterations. iteration 459: trace = 2.449302901682854 (1.3064e-06% change) large trace change predicted (3.03674e-06%) linmin: converged after 3 iterations. iteration 460: trace = 2.449302827309876 (3.0365e-06% change) linmin: converged after 6 iterations. iteration 461: trace = 2.449302741682878 (3.49597e-06% change) linmin: converged after 8 iterations. iteration 462: trace = 2.449302678294404 (2.58802e-06% change) large trace change predicted (7.1125e-06%) linmin: converged after 4 iterations. iteration 463: trace = 2.449302504151457 (7.1099e-06% change) linmin: converged after 4 iterations. iteration 464: trace = 2.449302431382238 (2.97102e-06% change) linmin: converged after 3 iterations. iteration 465: trace = 2.449302322795264 (4.43338e-06% change) linmin: converged after 5 iterations. iteration 466: trace = 2.449302163235641 (6.51449e-06% change) linmin: converged after 4 iterations. iteration 467: trace = 2.449302008603472 (6.31332e-06% change) linmin: converged after 5 iterations. iteration 468: trace = 2.449301954760395 (2.1983e-06% change) large trace change predicted (8.48473e-06%) linmin: converged after 4 iterations. iteration 469: trace = 2.449301746929865 (8.4853e-06% change) linmin: converged after 3 iterations. iteration 470: trace = 2.44930158499688 (6.61139e-06% change) linmin: converged after 2 iterations. iteration 471: trace = 2.449301519537809 (2.67256e-06% change) large trace change predicted (9.02635e-06%) linmin: converged after 4 iterations. iteration 472: trace = 2.44930129839495 (9.02881e-06% change) linmin: converged after 3 iterations. iteration 473: trace = 2.449301095773646 (8.27262e-06% change) linmin: converged after 6 iterations. iteration 474: trace = 2.449301056541607 (1.60176e-06% change) large trace change predicted (5.27166e-06%) linmin: converged after 3 iterations. iteration 475: trace = 2.44930092741027 (5.27217e-06% change) linmin: converged after 4 iterations. iteration 476: trace = 2.449300845753241 (3.33389e-06% change) linmin: converged after 5 iterations. iteration 477: trace = 2.449300815360409 (1.24088e-06% change) large trace change predicted (4.15168e-06%) linmin: converged after 3 iterations. iteration 478: trace = 2.449300713665282 (4.15201e-06% change) linmin: converged after 5 iterations. iteration 479: trace = 2.44930065569095 (2.36697e-06% change) linmin: converged after 9 iterations. iteration 480: trace = 2.449300597626611 (2.37065e-06% change) linmin: converged after 4 iterations. iteration 481: trace = 2.449300520992366 (3.12882e-06% change) linmin: converged after 2 iterations. iteration 482: trace = 2.449300397210258 (5.05377e-06% change) linmin: converged after 4 iterations. iteration 483: trace = 2.449300361225267 (1.46919e-06% change) large trace change predicted (7.04655e-06%) linmin: converged after 4 iterations. iteration 484: trace = 2.449300188636986 (7.04643e-06% change) linmin: converged after 6 iterations. iteration 485: trace = 2.449300078732668 (4.48717e-06% change) linmin: converged after 3 iterations. iteration 486: trace = 2.449300012246638 (2.71449e-06% change) large trace change predicted (8.02864e-06%) linmin: converged after 5 iterations. iteration 487: trace = 2.44929981560621 (8.02843e-06% change) linmin: converged after 4 iterations. iteration 488: trace = 2.449299699773492 (4.72922e-06% change) linmin: converged after 3 iterations. iteration 489: trace = 2.449299554635778 (5.92568e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 490: trace = 2.449299429470633 (5.11024e-06% change) linmin: converged after 6 iterations. iteration 491: trace = 2.44929934287215 (3.53564e-06% change) linmin: converged after 2 iterations. iteration 492: trace = 2.449299184030745 (6.48518e-06% change) linmin: converged after 2 iterations. iteration 493: trace = 2.4492991172159 (2.72792e-06% change) linmin: converged after 3 iterations. iteration 494: trace = 2.449299029092498 (3.5979e-06% change) linmin: converged after 6 iterations. iteration 495: trace = 2.449298878690034 (6.14063e-06% change) linmin: converged after 9 iterations. iteration 496: trace = 2.449298852434448 (1.07196e-06% change) large trace change predicted (3.65764e-06%) linmin: converged after 5 iterations. iteration 497: trace = 2.449298762853906 (3.6574e-06% change) linmin: converged after 3 iterations. iteration 498: trace = 2.449298701121422 (2.52041e-06% change) linmin: converged after 8 iterations. iteration 499: trace = 2.449298684309333 (6.86404e-07% change) large trace change predicted (2.9529e-06%) linmin: converged after 3 iterations. iteration 500: trace = 2.449298611988475 (2.95272e-06% change) linmin: converged after 4 iterations. iteration 501: trace = 2.449298544671136 (2.74843e-06% change) linmin: converged after 4 iterations. iteration 502: trace = 2.449298524508349 (8.23207e-07% change) large trace change predicted (2.02023e-06%) linmin: converged after 3 iterations. iteration 503: trace = 2.449298475026414 (2.02025e-06% change) linmin: converged after 6 iterations. iteration 504: trace = 2.449298389023014 (3.51135e-06% change) linmin: converged after 7 iterations. iteration 505: trace = 2.449298367868543 (8.63695e-07% change) large trace change predicted (5.21918e-06%) linmin: converged after 11 iterations. iteration 506: trace = 2.449298240054867 (5.21838e-06% change) linmin: converged after 3 iterations. iteration 507: trace = 2.449298135550526 (4.26671e-06% change) linmin: converged after 4 iterations. iteration 508: trace = 2.449298096211906 (1.60612e-06% change) large trace change predicted (3.74886e-06%) linmin: converged after 5 iterations. iteration 509: trace = 2.449298004395614 (3.74868e-06% change) linmin: converged after 3 iterations. iteration 510: trace = 2.449297894952925 (4.46833e-06% change) linmin: converged after 5 iterations. iteration 511: trace = 2.449297866227305 (1.17281e-06% change) large trace change predicted (3.52397e-06%) linmin: converged after 5 iterations. iteration 512: trace = 2.449297779911246 (3.52411e-06% change) linmin: converged after 4 iterations. iteration 513: trace = 2.449297717736781 (2.53846e-06% change) linmin: converged after 2 iterations. iteration 514: trace = 2.44929767422181 (1.77663e-06% change) linmin: converged after 4 iterations. iteration 515: trace = 2.449297595829442 (3.20061e-06% change) linmin: converged after 5 iterations. iteration 516: trace = 2.449297535145935 (2.47759e-06% change) linmin: converged after 16 iterations. iteration 517: trace = 2.449297502630137 (1.32756e-06% change) linmin: converged after 5 iterations. iteration 518: trace = 2.449297448020834 (2.22959e-06% change) linmin: converged after 4 iterations. iteration 519: trace = 2.449297416470452 (1.28814e-06% change) linmin: converged after 10 iterations. iteration 520: trace = 2.449297391050599 (1.03784e-06% change) linmin: converged after 6 iterations. iteration 521: trace = 2.449297372997664 (7.37066e-07% change) large trace change predicted (1.84029e-06%) linmin: converged after 21 iterations. iteration 522: trace = 2.449297327923096 (1.84031e-06% change) linmin: converged after 3 iterations. iteration 523: trace = 2.449297313603914 (5.84624e-07% change) large trace change predicted (1.99333e-06%) linmin: converged after 6 iterations. iteration 524: trace = 2.44929726478399 (1.99322e-06% change) linmin: converged after 4 iterations. iteration 525: trace = 2.449297211835038 (2.1618e-06% change) linmin: converged after 5 iterations. iteration 526: trace = 2.449297190260008 (8.80866e-07% change) large trace change predicted (3.57537e-06%) linmin: converged after 4 iterations. iteration 527: trace = 2.449297102693991 (3.57515e-06% change) linmin: converged after 3 iterations. iteration 528: trace = 2.449297053396339 (2.01273e-06% change) linmin: converged after 11 iterations. iteration 529: trace = 2.449297032619429 (8.48281e-07% change) linmin: converged after 4 iterations. iteration 530: trace = 2.449296992673108 (1.63093e-06% change) linmin: converged after 4 iterations. iteration 531: trace = 2.44929693720552 (2.26463e-06% change) linmin: converged after 4 iterations. iteration 532: trace = 2.449296918078637 (7.80913e-07% change) large trace change predicted (2.63007e-06%) linmin: converged after 8 iterations. iteration 533: trace = 2.449296853660734 (2.63006e-06% change) linmin: converged after 11 iterations. iteration 534: trace = 2.449296804496899 (2.00726e-06% change) linmin: converged after 4 iterations. iteration 535: trace = 2.449296787316758 (7.01432e-07% change) large trace change predicted (2.03404e-06%) linmin: converged after 3 iterations. iteration 536: trace = 2.449296737499339 (2.03395e-06% change) linmin: converged after 4 iterations. iteration 537: trace = 2.449296699204011 (1.56352e-06% change) linmin: converged after 24 iterations. iteration 538: trace = 2.449296688959647 (4.18257e-07% change) large trace change predicted (1.80255e-06%) linmin: converged after 7 iterations. iteration 539: trace = 2.449296644811075 (1.8025e-06% change) linmin: converged after 4 iterations. iteration 540: trace = 2.449296623989745 (8.50094e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.449296607558735 (6.70846e-07% change) large trace change predicted (1.65871e-06%) linmin: converged after 9 iterations. iteration 542: trace = 2.449296566932979 (1.65867e-06% change) linmin: converged after 12 iterations. iteration 543: trace = 2.449296533664887 (1.35827e-06% change) linmin: converged after 7 iterations. iteration 544: trace = 2.449296499850904 (1.38056e-06% change) linmin: converged after 8 iterations. iteration 545: trace = 2.449296446432119 (2.18098e-06% change) linmin: converged after 4 iterations. iteration 546: trace = 2.449296409222726 (1.51919e-06% change) linmin: converged after 8 iterations. iteration 547: trace = 2.449296389246551 (8.15588e-07% change) large trace change predicted (1.98142e-06%) linmin: converged after 4 iterations. iteration 548: trace = 2.449296340716756 (1.98138e-06% change) linmin: converged after 5 iterations. iteration 549: trace = 2.44929629881578 (1.71074e-06% change) linmin: converged after 16 iterations. iteration 550: trace = 2.449296286326081 (5.0993e-07% change) large trace change predicted (1.11906e-06%) linmin: converged after 4 iterations. iteration 551: trace = 2.449296258917512 (1.11904e-06% change) linmin: converged after 4 iterations. iteration 552: trace = 2.449296221615067 (1.52299e-06% change) linmin: converged after 2 iterations. iteration 553: trace = 2.449296208133059 (5.50444e-07% change) large trace change predicted (1.9645e-06%) linmin: converged after 7 iterations. iteration 554: trace = 2.449296160018755 (1.96441e-06% change) linmin: converged after 4 iterations. iteration 555: trace = 2.449296140838978 (7.83073e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.449296123085604 (7.24836e-07% change) linmin: converged after 3 iterations. iteration 557: trace = 2.449296099647464 (9.56934e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.449296088925706 (4.37749e-07% change) linmin: converged after 9 iterations. iteration 559: trace = 2.449296082398317 (2.66501e-07% change) resetting CG direction... linmin: converged after 10 iterations. iteration 560: trace = 2.449296076458252 (2.42521e-07% change) linmin: converged after 4 iterations. iteration 561: trace = 2.449296068067724 (3.42569e-07% change) large trace change predicted (8.2067e-07%) linmin: converged after 3 iterations. iteration 562: trace = 2.449296047966818 (8.20681e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.449296033437271 (5.93213e-07% change) linmin: converged after 9 iterations. iteration 564: trace = 2.449296015820339 (7.19265e-07% change) large trace change predicted (1.91135e-06%) linmin: converged after 14 iterations. iteration 565: trace = 2.449295969003428 (1.91144e-06% change) linmin: converged after 4 iterations. iteration 566: trace = 2.449295956077304 (5.27749e-07% change) large trace change predicted (1.34565e-06%) linmin: converged after 2 iterations. iteration 567: trace = 2.449295923118196 (1.34566e-06% change) linmin: converged after 13 iterations. iteration 568: trace = 2.449295899340693 (9.70789e-07% change) linmin: converged after 13 iterations. iteration 569: trace = 2.449295890442377 (3.63301e-07% change) large trace change predicted (1.39342e-06%) linmin: converged after 3 iterations. iteration 570: trace = 2.449295856312726 (1.39345e-06% change) linmin: converged after 16 iterations. iteration 571: trace = 2.449295823140564 (1.35436e-06% change) linmin: converged after 10 iterations. iteration 572: trace = 2.449295807003971 (6.58826e-07% change) large trace change predicted (1.44814e-06%) linmin: converged after 5 iterations. iteration 573: trace = 2.449295771533152 (1.4482e-06% change) linmin: converged after 5 iterations. iteration 574: trace = 2.449295727555186 (1.79554e-06% change) linmin: converged after 9 iterations. iteration 575: trace = 2.449295712153016 (6.28841e-07% change) large trace change predicted (1.3139e-06%) linmin: converged after 7 iterations. iteration 576: trace = 2.449295679970796 (1.31394e-06% change) linmin: converged after 5 iterations. iteration 577: trace = 2.449295651212337 (1.17415e-06% change) linmin: converged after 2 iterations. iteration 578: trace = 2.449295642594985 (3.5183e-07% change) large trace change predicted (8.4235e-07%) linmin: converged after 5 iterations. iteration 579: trace = 2.449295621962583 (8.42381e-07% change) linmin: converged after 21 iterations. iteration 580: trace = 2.449295594146689 (1.13567e-06% change) linmin: converged after 4 iterations. iteration 581: trace = 2.449295587613738 (2.66728e-07% change) large trace change predicted (1.08307e-06%) linmin: converged after 10 iterations. iteration 582: trace = 2.449295561084804 (1.08313e-06% change) linmin: converged after 3 iterations. iteration 583: trace = 2.449295530508905 (1.24835e-06% change) linmin: converged after 4 iterations. iteration 584: trace = 2.449295520181253 (4.21658e-07% change) large trace change predicted (1.42209e-06%) linmin: converged after 9 iterations. iteration 585: trace = 2.449295485348387 (1.42216e-06% change) linmin: converged after 5 iterations. iteration 586: trace = 2.449295446972909 (1.5668e-06% change) linmin: converged after 4 iterations. iteration 587: trace = 2.449295437633795 (3.81298e-07% change) large trace change predicted (1.45631e-06%) linmin: converged after 8 iterations. iteration 588: trace = 2.449295401963015 (1.45637e-06% change) linmin: converged after 10 iterations. iteration 589: trace = 2.449295376839459 (1.02575e-06% change) linmin: converged after 3 iterations. iteration 590: trace = 2.449295361870868 (6.11139e-07% change) linmin: converged after 2 iterations. iteration 591: trace = 2.449295337047406 (1.01349e-06% change) linmin: converged after 4 iterations. iteration 592: trace = 2.449295293299488 (1.78614e-06% change) linmin: converged after 4 iterations. iteration 593: trace = 2.449295282239425 (4.51561e-07% change) large trace change predicted (1.28824e-06%) linmin: converged after 4 iterations. iteration 594: trace = 2.449295250685992 (1.28827e-06% change) linmin: converged after 5 iterations. iteration 595: trace = 2.449295221824196 (1.17837e-06% change) linmin: converged after 2 iterations. iteration 596: trace = 2.44929521386984 (3.24761e-07% change) large trace change predicted (1.03584e-06%) linmin: converged after 4 iterations. iteration 597: trace = 2.449295188499494 (1.03582e-06% change) linmin: converged after 6 iterations. iteration 598: trace = 2.449295177111954 (4.64931e-07% change) linmin: converged after 3 iterations. iteration 599: trace = 2.449295168897962 (3.35361e-07% change) linmin: converged after 4 iterations. iteration 600: trace = 2.449295153614405 (6.23998e-07% change) linmin: converged after 4 iterations. iteration 601: trace = 2.449295131232283 (9.13819e-07% change) linmin: converged after 18 iterations. iteration 602: trace = 2.449295121822322 (3.84191e-07% change) large trace change predicted (1.77567e-06%) linmin: converged after 13 iterations. iteration 603: trace = 2.449295078339307 (1.77533e-06% change) linmin: converged after 4 iterations. iteration 604: trace = 2.449295043926324 (1.40502e-06% change) linmin: converged after 4 iterations. iteration 605: trace = 2.44929503094616 (5.29955e-07% change) large trace change predicted (1.5279e-06%) linmin: converged after 9 iterations. iteration 606: trace = 2.449294993525982 (1.52779e-06% change) linmin: converged after 19 iterations. iteration 607: trace = 2.449294956707033 (1.50325e-06% change) linmin: converged after 2 iterations. iteration 608: trace = 2.449294939272067 (7.11836e-07% change) large trace change predicted (1.60246e-06%) linmin: converged after 3 iterations. iteration 609: trace = 2.449294900021942 (1.60251e-06% change) linmin: converged after 6 iterations. iteration 610: trace = 2.449294857711322 (1.72746e-06% change) linmin: converged after 14 iterations. iteration 611: trace = 2.449294830745647 (1.10096e-06% change) linmin: converged after 4 iterations. iteration 612: trace = 2.44929480176176 (1.18336e-06% change) linmin: converged after 4 iterations. iteration 613: trace = 2.449294753618048 (1.96562e-06% change) linmin: converged after 4 iterations. iteration 614: trace = 2.449294744950016 (3.53899e-07% change) large trace change predicted (1.28832e-06%) linmin: converged after 6 iterations. iteration 615: trace = 2.449294713392934 (1.28842e-06% change) linmin: converged after 4 iterations. iteration 616: trace = 2.449294693129423 (8.2732e-07% change) linmin: converged after 8 iterations. iteration 617: trace = 2.449294677932421 (6.20464e-07% change) linmin: converged after 8 iterations. iteration 618: trace = 2.449294664915564 (5.31453e-07% change) linmin: converged after 9 iterations. iteration 619: trace = 2.449294640543842 (9.95051e-07% change) linmin: converged after 13 iterations. iteration 620: trace = 2.449294633871995 (2.72399e-07% change) large trace change predicted (6.53942e-07%) linmin: converged after 5 iterations. iteration 621: trace = 2.449294617854707 (6.53955e-07% change) linmin: converged after 11 iterations. iteration 622: trace = 2.44929458844143 (1.20089e-06% change) linmin: converged after 13 iterations. iteration 623: trace = 2.449294565662547 (9.30018e-07% change) linmin: converged after 4 iterations. iteration 624: trace = 2.449294538123795 (1.12435e-06% change) linmin: converged after 3 iterations. iteration 625: trace = 2.449294506644298 (1.28525e-06% change) linmin: converged after 7 iterations. iteration 626: trace = 2.449294488678851 (7.33495e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.449294456059742 (1.33178e-06% change) linmin: converged after 5 iterations. iteration 628: trace = 2.44929441222657 (1.78962e-06% change) linmin: converged after 5 iterations. iteration 629: trace = 2.44929437856458 (1.37435e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.449294348225139 (1.2387e-06% change) linmin: converged after 6 iterations. iteration 631: trace = 2.449294311729159 (1.49006e-06% change) linmin: converged after 5 iterations. iteration 632: trace = 2.449294283566208 (1.14984e-06% change) linmin: converged after 12 iterations. iteration 633: trace = 2.44929426721953 (6.67404e-07% change) linmin: converged after 3 iterations. iteration 634: trace = 2.449294240152789 (1.10508e-06% change) linmin: converged after 2 iterations. iteration 635: trace = 2.449294216841413 (9.51759e-07% change) linmin: converged after 7 iterations. iteration 636: trace = 2.449294200573756 (6.64177e-07% change) linmin: converged after 3 iterations. iteration 637: trace = 2.44929417672032 (9.7389e-07% change) linmin: converged after 4 iterations. iteration 638: trace = 2.449294169224955 (3.06021e-07% change) linmin: converged after 5 iterations. iteration 639: trace = 2.449294160732715 (3.46722e-07% change) large trace change predicted (7.45905e-07%) linmin: converged after 5 iterations. iteration 640: trace = 2.449294142463735 (7.45888e-07% change) linmin: converged after 2 iterations. iteration 641: trace = 2.449294137792205 (1.9073e-07% change) large trace change predicted (5.92936e-07%) linmin: converged after 5 iterations. iteration 642: trace = 2.449294123269853 (5.9292e-07% change) linmin: converged after 3 iterations. iteration 643: trace = 2.449294110542836 (5.1962e-07% change) linmin: converged after 9 iterations. iteration 644: trace = 2.449294102403012 (3.32333e-07% change) large trace change predicted (6.66144e-07%) linmin: converged after 4 iterations. iteration 645: trace = 2.449294086087627 (6.66126e-07% change) linmin: converged after 9 iterations. iteration 646: trace = 2.449294054702321 (1.2814e-06% change) linmin: converged after 7 iterations. iteration 647: trace = 2.449294040562214 (5.77314e-07% change) linmin: converged after 4 iterations. iteration 648: trace = 2.449294022097127 (7.53894e-07% change) linmin: converged after 8 iterations. iteration 649: trace = 2.449293998998872 (9.43058e-07% change) linmin: converged after 9 iterations. iteration 650: trace = 2.449293981243777 (7.24907e-07% change) linmin: converged after 12 iterations. iteration 651: trace = 2.449293968078251 (5.37523e-07% change) linmin: converged after 16 iterations. iteration 652: trace = 2.449293948649922 (7.93222e-07% change) linmin: converged after 5 iterations. iteration 653: trace = 2.449293939222242 (3.84914e-07% change) linmin: converged after 3 iterations. iteration 654: trace = 2.44929392374868 (6.31756e-07% change) linmin: converged after 5 iterations. iteration 655: trace = 2.449293905575563 (7.41974e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.449293900160324 (2.21094e-07% change) large trace change predicted (6.95558e-07%) linmin: converged after 4 iterations. iteration 657: trace = 2.449293883122324 (6.95629e-07% change) linmin: converged after 8 iterations. iteration 658: trace = 2.449293870445803 (5.17558e-07% change) linmin: converged after 18 iterations. iteration 659: trace = 2.449293863998098 (2.63248e-07% change) linmin: converged after 15 iterations. iteration 660: trace = 2.449293861031792 (1.21109e-07% change) large trace change predicted (3.32179e-07%) linmin: converged after 3 iterations. iteration 661: trace = 2.449293852895654 (3.32183e-07% change) linmin: converged after 13 iterations. iteration 662: trace = 2.449293842369846 (4.29749e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.449293839232275 (1.28101e-07% change) large trace change predicted (4.21875e-07%) linmin: converged after 4 iterations. iteration 664: trace = 2.449293828899499 (4.21868e-07% change) linmin: converged after 4 iterations. iteration 665: trace = 2.449293815336883 (5.53736e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.449293810047407 (2.15959e-07% change) large trace change predicted (8.1053e-07%) linmin: converged after 8 iterations. iteration 667: trace = 2.449293790195751 (8.10505e-07% change) linmin: converged after 4 iterations. iteration 668: trace = 2.449293782273859 (3.23436e-07% change) linmin: converged after 11 iterations. iteration 669: trace = 2.449293775394512 (2.80871e-07% change) linmin: converged after 5 iterations. iteration 670: trace = 2.449293764945047 (4.26632e-07% change) linmin: converged after 5 iterations. iteration 671: trace = 2.449293756504798 (3.44599e-07% change) linmin: converged after 4 iterations. iteration 672: trace = 2.44929374722218 (3.78992e-07% change) linmin: converged after 15 iterations. iteration 673: trace = 2.449293731960705 (6.23097e-07% change) linmin: converged after 13 iterations. iteration 674: trace = 2.449293725417255 (2.67157e-07% change) linmin: converged after 4 iterations. iteration 675: trace = 2.44929371615482 (3.78168e-07% change) linmin: converged after 5 iterations. iteration 676: trace = 2.449293704609577 (4.7137e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.449293696774195 (3.19904e-07% change) linmin: converged after 2 iterations. iteration 678: trace = 2.449293693571425 (1.30763e-07% change) large trace change predicted (4.15708e-07%) linmin: converged after 16 iterations. iteration 679: trace = 2.449293683389681 (4.15701e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.449293679386666 (1.63435e-07% change) linmin: converged after 23 iterations. iteration 681: trace = 2.449293674621555 (1.9455e-07% change) linmin: converged after 7 iterations. iteration 682: trace = 2.449293665308911 (3.80218e-07% change) linmin: converged after 5 iterations. iteration 683: trace = 2.449293659723073 (2.28059e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.449293649596636 (4.13443e-07% change) linmin: converged after 5 iterations. iteration 685: trace = 2.449293637100528 (5.10192e-07% change) linmin: converged after 5 iterations. iteration 686: trace = 2.449293630006 (2.89656e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.449293623719263 (2.56676e-07% change) linmin: converged after 3 iterations. iteration 688: trace = 2.449293612301654 (4.66159e-07% change) linmin: converged after 4 iterations. iteration 689: trace = 2.449293603402506 (3.63335e-07% change) linmin: converged after 4 iterations. iteration 690: trace = 2.449293600123875 (1.3386e-07% change) linmin: converged after 7 iterations. iteration 691: trace = 2.449293593941523 (2.52414e-07% change) linmin: converged after 4 iterations. iteration 692: trace = 2.449293584845991 (3.71353e-07% change) linmin: converged after 3 iterations. iteration 693: trace = 2.449293581503368 (1.36473e-07% change) large trace change predicted (4.86326e-07%) linmin: converged after 5 iterations. iteration 694: trace = 2.449293569592126 (4.86313e-07% change) linmin: converged after 6 iterations. iteration 695: trace = 2.44929356405537 (2.26055e-07% change) linmin: converged after 4 iterations. iteration 696: trace = 2.44929356123884 (1.14994e-07% change) linmin: converged after 4 iterations. iteration 697: trace = 2.449293555906936 (2.17691e-07% change) linmin: converged after 6 iterations. iteration 698: trace = 2.449293553202247 (1.10427e-07% change) linmin: converged after 23 iterations. iteration 699: trace = 2.449293552072011 (4.61454e-08% change) resetting CG direction... linmin: converged after 18 iterations. iteration 700: trace = 2.449293550991635 (4.41097e-08% change) large trace change predicted (9.53215e-08%) linmin: converged after 17 iterations. iteration 701: trace = 2.449293548656932 (9.53215e-08% change) linmin: converged after 10 iterations. iteration 702: trace = 2.449293544302831 (1.7777e-07% change) linmin: converged after 14 iterations. iteration 703: trace = 2.449293542252224 (8.37224e-08% change) large trace change predicted (2.38125e-07%) linmin: converged after 15 iterations. iteration 704: trace = 2.449293536419747 (2.38129e-07% change) linmin: converged after 5 iterations. iteration 705: trace = 2.449293525471346 (4.47002e-07% change) linmin: converged after 4 iterations. iteration 706: trace = 2.449293523232405 (9.14117e-08% change) large trace change predicted (3.81117e-07%) linmin: converged after 4 iterations. iteration 707: trace = 2.449293513897719 (3.81117e-07% change) linmin: converged after 2 iterations. iteration 708: trace = 2.44929350925396 (1.89596e-07% change) linmin: converged after 2 iterations. iteration 709: trace = 2.449293507155359 (8.56819e-08% change) large trace change predicted (3.53602e-07%) linmin: converged after 13 iterations. iteration 710: trace = 2.449293498494528 (3.53605e-07% change) linmin: converged after 7 iterations. iteration 711: trace = 2.449293493006601 (2.24062e-07% change) linmin: converged after 4 iterations. iteration 712: trace = 2.449293487839301 (2.10971e-07% change) linmin: converged after 16 iterations. iteration 713: trace = 2.449293479353592 (3.46455e-07% change) linmin: converged after 4 iterations. iteration 714: trace = 2.449293468416725 (4.46532e-07% change) linmin: converged after 4 iterations. iteration 715: trace = 2.449293466204248 (9.03312e-08% change) large trace change predicted (3.94189e-07%) linmin: converged after 11 iterations. iteration 716: trace = 2.449293456549298 (3.94193e-07% change) linmin: converged after 13 iterations. iteration 717: trace = 2.449293450153768 (2.61117e-07% change) linmin: converged after 6 iterations. iteration 718: trace = 2.449293448035268 (8.64943e-08% change) large trace change predicted (1.93877e-07%) linmin: converged after 28 iterations. iteration 719: trace = 2.449293443286568 (1.9388e-07% change) linmin: converged after 15 iterations. iteration 720: trace = 2.449293436842403 (2.63103e-07% change) linmin: converged after 15 iterations. iteration 721: trace = 2.449293435159273 (6.8719e-08% change) large trace change predicted (2.37797e-07%) linmin: converged after 5 iterations. iteration 722: trace = 2.449293429334772 (2.37803e-07% change) linmin: converged after 4 iterations. iteration 723: trace = 2.449293422493635 (2.79311e-07% change) linmin: converged after 4 iterations. iteration 724: trace = 2.449293419681655 (1.14808e-07% change) large trace change predicted (3.57375e-07%) linmin: converged after 5 iterations. iteration 725: trace = 2.44929341092825 (3.57385e-07% change) linmin: converged after 15 iterations. iteration 726: trace = 2.449293401365326 (3.90436e-07% change) linmin: converged after 2 iterations. iteration 727: trace = 2.449293399194356 (8.86366e-08% change) large trace change predicted (3.60791e-07%) linmin: converged after 7 iterations. iteration 728: trace = 2.449293390357389 (3.60797e-07% change) linmin: converged after 4 iterations. iteration 729: trace = 2.449293384374638 (2.44264e-07% change) linmin: converged after 5 iterations. iteration 730: trace = 2.44929338047391 (1.59259e-07% change) linmin: converged after 13 iterations. iteration 731: trace = 2.449293374939781 (2.25948e-07% change) linmin: converged after 7 iterations. iteration 732: trace = 2.449293364309407 (4.34018e-07% change) linmin: converged after 4 iterations. iteration 733: trace = 2.44929336120834 (1.26611e-07% change) large trace change predicted (2.67648e-07%) linmin: converged after 10 iterations. iteration 734: trace = 2.449293354652786 (2.67651e-07% change) linmin: converged after 3 iterations. iteration 735: trace = 2.449293347813783 (2.79223e-07% change) linmin: converged after 7 iterations. iteration 736: trace = 2.449293344877164 (1.19897e-07% change) linmin: converged after 7 iterations. iteration 737: trace = 2.449293340072515 (1.96165e-07% change) linmin: converged after 7 iterations. iteration 738: trace = 2.449293336689746 (1.38112e-07% change) linmin: converged after 4 iterations. iteration 739: trace = 2.449293334995321 (6.91801e-08% change) large trace change predicted (1.41621e-07%) linmin: converged after 7 iterations. iteration 740: trace = 2.44929333152668 (1.41618e-07% change) linmin: converged after 5 iterations. iteration 741: trace = 2.449293325592226 (2.42293e-07% change) linmin: converged after 8 iterations. iteration 742: trace = 2.449293323676253 (7.82255e-08% change) large trace change predicted (3.90224e-07%) linmin: converged after 7 iterations. iteration 743: trace = 2.449293314119286 (3.90193e-07% change) linmin: converged after 4 iterations. iteration 744: trace = 2.449293305051359 (3.70226e-07% change) linmin: converged after 4 iterations. iteration 745: trace = 2.449293301228793 (1.56068e-07% change) linmin: converged after 5 iterations. iteration 746: trace = 2.449293293759903 (3.04941e-07% change) linmin: converged after 4 iterations. iteration 747: trace = 2.449293285259246 (3.47066e-07% change) linmin: converged after 4 iterations. iteration 748: trace = 2.449293281581426 (1.50158e-07% change) large trace change predicted (4.0202e-07%) linmin: converged after 5 iterations. iteration 749: trace = 2.449293271734551 (4.02029e-07% change) linmin: converged after 10 iterations. iteration 750: trace = 2.449293261696383 (4.09839e-07% change) linmin: converged after 5 iterations. iteration 751: trace = 2.449293252047075 (3.93963e-07% change) linmin: converged after 12 iterations. iteration 752: trace = 2.449293248615245 (1.40115e-07% change) large trace change predicted (4.7991e-07%) linmin: converged after 6 iterations. iteration 753: trace = 2.449293236860091 (4.79941e-07% change) linmin: converged after 4 iterations. iteration 754: trace = 2.449293230246521 (2.7002e-07% change) linmin: converged after 4 iterations. iteration 755: trace = 2.449293227426234 (1.15147e-07% change) linmin: converged after 4 iterations. iteration 756: trace = 2.449293222690805 (1.93339e-07% change) linmin: converged after 4 iterations. iteration 757: trace = 2.449293217515391 (2.11302e-07% change) linmin: converged after 24 iterations. iteration 758: trace = 2.449293216083568 (5.84586e-08% change) large trace change predicted (2.31159e-07%) linmin: converged after 7 iterations. iteration 759: trace = 2.449293210421688 (2.31164e-07% change) linmin: converged after 4 iterations. iteration 760: trace = 2.449293208256873 (8.83853e-08% change) linmin: converged after 6 iterations. iteration 761: trace = 2.449293205565157 (1.09898e-07% change) large trace change predicted (3.25563e-07%) linmin: converged after 10 iterations. iteration 762: trace = 2.449293197591006 (3.25569e-07% change) linmin: converged after 4 iterations. iteration 763: trace = 2.449293194292462 (1.34673e-07% change) large trace change predicted (3.36803e-07%) linmin: converged after 4 iterations. iteration 764: trace = 2.449293186043188 (3.36802e-07% change) linmin: converged after 7 iterations. iteration 765: trace = 2.449293178634246 (3.02493e-07% change) linmin: converged after 7 iterations. iteration 766: trace = 2.449293171716965 (2.8242e-07% change) linmin: converged after 4 iterations. iteration 767: trace = 2.449293166292309 (2.21478e-07% change) linmin: converged after 4 iterations. iteration 768: trace = 2.449293155738745 (4.30882e-07% change) large trace change predicted (3.21908e-06%) linmin: converged after 4 iterations. iteration 769: trace = 2.449293076889345 (3.21927e-06% change) resetting CG direction... linmin: converged after 5 iterations. iteration 770: trace = 2.449293050944771 (1.05927e-06% change) linmin: converged after 2 iterations. iteration 771: trace = 2.449293028044838 (9.34961e-07% change) linmin: converged after 2 iterations. iteration 772: trace = 2.449293016110505 (4.87256e-07% change) linmin: converged after 15 iterations. iteration 773: trace = 2.449293013072651 (1.2403e-07% change) large trace change predicted (3.54214e-07%) linmin: converged after 4 iterations. iteration 774: trace = 2.44929300439681 (3.54218e-07% change) linmin: converged after 4 iterations. iteration 775: trace = 2.449293002083938 (9.44302e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.449292999655202 (9.91607e-08% change) linmin: converged after 8 iterations. iteration 777: trace = 2.449292995709639 (1.6109e-07% change) linmin: converged after 7 iterations. iteration 778: trace = 2.449292993842816 (7.62189e-08% change) linmin: converged after 4 iterations. iteration 779: trace = 2.449292990190584 (1.49114e-07% change) linmin: converged after 6 iterations. iteration 780: trace = 2.44929298653819 (1.4912e-07% change) linmin: converged after 17 iterations. iteration 781: trace = 2.44929298559593 (3.84707e-08% change) linmin: converged after 8 iterations. iteration 782: trace = 2.449292984279377 (5.37524e-08% change) linmin: converged after 4 iterations. iteration 783: trace = 2.449292982473056 (7.37487e-08% change) linmin: converged after 4 iterations. iteration 784: trace = 2.449292981266213 (4.92731e-08% change) linmin: converged after 7 iterations. iteration 785: trace = 2.449292978945507 (9.47501e-08% change) linmin: converged after 4 iterations. iteration 786: trace = 2.449292975044584 (1.59267e-07% change) linmin: converged after 4 iterations. iteration 787: trace = 2.449292973549084 (6.10584e-08% change) linmin: converged after 7 iterations. iteration 788: trace = 2.449292971104859 (9.97931e-08% change) linmin: converged after 4 iterations. iteration 789: trace = 2.449292967183476 (1.60103e-07% change) linmin: converged after 4 iterations. iteration 790: trace = 2.449292965303232 (7.67668e-08% change) large trace change predicted (1.98171e-07%) linmin: converged after 6 iterations. iteration 791: trace = 2.449292960449499 (1.98169e-07% change) linmin: converged after 8 iterations. iteration 792: trace = 2.4492929565545 (1.59025e-07% change) linmin: converged after 4 iterations. iteration 793: trace = 2.449292954187952 (9.66217e-08% change) linmin: converged after 7 iterations. iteration 794: trace = 2.449292952501317 (6.88621e-08% change) large trace change predicted (1.50297e-07%) linmin: converged after 6 iterations. iteration 795: trace = 2.449292948820074 (1.50298e-07% change) linmin: converged after 6 iterations. iteration 796: trace = 2.449292946578884 (9.15035e-08% change) linmin: converged after 6 iterations. iteration 797: trace = 2.4492929440756 (1.02204e-07% change) linmin: converged after 6 iterations. iteration 798: trace = 2.44929294184444 (9.1094e-08% change) linmin: converged after 4 iterations. iteration 799: trace = 2.449292939411533 (9.9331e-08% change) linmin: converged after 6 iterations. iteration 800: trace = 2.449292938905594 (2.06565e-08% change) large trace change predicted (6.53231e-08%) linmin: converged after 7 iterations. iteration 801: trace = 2.449292937305603 (6.53246e-08% change) linmin: converged after 3 iterations. iteration 802: trace = 2.449292936225631 (4.40932e-08% change) linmin: converged after 6 iterations. iteration 803: trace = 2.449292935795456 (1.75632e-08% change) large trace change predicted (5.78056e-08%) linmin: converged after 5 iterations. iteration 804: trace = 2.449292934379625 (5.78057e-08% change) linmin: converged after 4 iterations. iteration 805: trace = 2.44929293196233 (9.86936e-08% change) linmin: converged after 3 iterations. iteration 806: trace = 2.449292930871808 (4.45239e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.449292929025036 (7.54002e-08% change) linmin: converged after 4 iterations. iteration 808: trace = 2.449292926416139 (1.06516e-07% change) linmin: converged after 15 iterations. iteration 809: trace = 2.449292925160456 (5.12671e-08% change) linmin: converged after 4 iterations. iteration 810: trace = 2.449292923510468 (6.73659e-08% change) linmin: converged after 7 iterations. iteration 811: trace = 2.449292921055966 (1.00213e-07% change) linmin: converged after 4 iterations. iteration 812: trace = 2.44929292054098 (2.10259e-08% change) large trace change predicted (8.54323e-08%) linmin: converged after 12 iterations. iteration 813: trace = 2.449292918448503 (8.54319e-08% change) linmin: converged after 4 iterations. iteration 814: trace = 2.449292916791608 (6.76479e-08% change) linmin: converged after 11 iterations. iteration 815: trace = 2.449292916082057 (2.89696e-08% change) large trace change predicted (1.1322e-07%) linmin: converged after 4 iterations. iteration 816: trace = 2.449292913308978 (1.1322e-07% change) linmin: converged after 7 iterations. iteration 817: trace = 2.449292910912646 (9.78377e-08% change) linmin: converged after 5 iterations. iteration 818: trace = 2.449292910358037 (2.26436e-08% change) linmin: converged after 4 iterations. iteration 819: trace = 2.449292909287076 (4.37253e-08% change) linmin: converged after 7 iterations. iteration 820: trace = 2.449292907754324 (6.25793e-08% change) linmin: converged after 4 iterations. iteration 821: trace = 2.44929290726912 (1.981e-08% change) large trace change predicted (6.32519e-08%) linmin: converged after 24 iterations. iteration 822: trace = 2.449292905719897 (6.32518e-08% change) linmin: converged after 4 iterations. iteration 823: trace = 2.449292904359893 (5.55264e-08% change) linmin: converged after 13 iterations. iteration 824: trace = 2.44929290315872 (4.90416e-08% change) linmin: converged after 4 iterations. iteration 825: trace = 2.449292902439177 (2.93775e-08% change) large trace change predicted (7.29904e-08%) linmin: converged after 4 iterations. iteration 826: trace = 2.449292900651435 (7.29901e-08% change) linmin: converged after 4 iterations. iteration 827: trace = 2.449292899871154 (3.18574e-08% change) large trace change predicted (7.14704e-08%) linmin: converged after 6 iterations. iteration 828: trace = 2.449292898120633 (7.14704e-08% change) linmin: converged after 4 iterations. iteration 829: trace = 2.44929289644922 (6.82407e-08% change) linmin: converged after 17 iterations. iteration 830: trace = 2.449292895568439 (3.59606e-08% change) linmin: converged after 4 iterations. iteration 831: trace = 2.449292894770636 (3.25728e-08% change) large trace change predicted (6.70632e-08%) linmin: converged after 4 iterations. iteration 832: trace = 2.449292893128064 (6.70631e-08% change) linmin: converged after 4 iterations. iteration 833: trace = 2.449292892711513 (1.7007e-08% change) large trace change predicted (4.89608e-08%) linmin: converged after 5 iterations. iteration 834: trace = 2.449292891512315 (4.8961e-08% change) linmin: converged after 12 iterations. iteration 835: trace = 2.449292890071998 (5.88054e-08% change) linmin: converged after 4 iterations. iteration 836: trace = 2.449292888707991 (5.56899e-08% change) linmin: converged after 10 iterations. iteration 837: trace = 2.449292888072222 (2.59572e-08% change) linmin: converged after 3 iterations. iteration 838: trace = 2.449292887317911 (3.07971e-08% change) linmin: converged after 4 iterations. iteration 839: trace = 2.449292886820534 (2.0307e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 840: trace = 2.449292886663034 (6.43042e-09% change) large trace change predicted (1.2912e-08%) linmin: converged after 4 iterations. iteration 841: trace = 2.449292886346788 (1.29117e-08% change) linmin: converged after 21 iterations. iteration 842: trace = 2.449292885792505 (2.26303e-08% change) linmin: converged after 4 iterations. iteration 843: trace = 2.449292885533664 (1.0568e-08% change) large trace change predicted (6.39695e-08%) linmin: converged after 4 iterations. iteration 844: trace = 2.449292883966869 (6.39693e-08% change) linmin: converged after 4 iterations. iteration 845: trace = 2.449292882776127 (4.86158e-08% change) linmin: converged after 4 iterations. iteration 846: trace = 2.44929288219734 (2.36308e-08% change) linmin: converged after 4 iterations. iteration 847: trace = 2.449292881068467 (4.60898e-08% change) linmin: converged after 4 iterations. iteration 848: trace = 2.449292880030361 (4.23839e-08% change) linmin: converged after 4 iterations. iteration 849: trace = 2.449292879581204 (1.83382e-08% change) large trace change predicted (4.97834e-08%) linmin: converged after 4 iterations. iteration 850: trace = 2.449292878361861 (4.97835e-08% change) linmin: converged after 13 iterations. iteration 851: trace = 2.449292877674381 (2.80685e-08% change) linmin: converged after 3 iterations. iteration 852: trace = 2.449292876599154 (4.38995e-08% change) linmin: converged after 12 iterations. iteration 853: trace = 2.449292874813741 (7.2895e-08% change) linmin: converged after 6 iterations. iteration 854: trace = 2.449292873984671 (3.38494e-08% change) linmin: converged after 4 iterations. iteration 855: trace = 2.449292873210549 (3.16059e-08% change) linmin: converged after 22 iterations. iteration 856: trace = 2.449292871961519 (5.09955e-08% change) linmin: converged after 5 iterations. iteration 857: trace = 2.449292870939143 (4.17417e-08% change) linmin: converged after 4 iterations. iteration 858: trace = 2.449292870574498 (1.48878e-08% change) large trace change predicted (4.03523e-08%) linmin: converged after 7 iterations. iteration 859: trace = 2.449292869586152 (4.03523e-08% change) linmin: converged after 14 iterations. iteration 860: trace = 2.449292868747079 (3.42578e-08% change) linmin: converged after 10 iterations. iteration 861: trace = 2.44929286836814 (1.54714e-08% change) linmin: converged after 4 iterations. iteration 862: trace = 2.44929286761192 (3.0875e-08% change) linmin: converged after 4 iterations. iteration 863: trace = 2.449292866153526 (5.95435e-08% change) linmin: converged after 4 iterations. iteration 864: trace = 2.449292865752945 (1.6355e-08% change) large trace change predicted (8.29358e-08%) linmin: converged after 4 iterations. iteration 865: trace = 2.44929286372159 (8.29364e-08% change) linmin: converged after 4 iterations. iteration 866: trace = 2.449292862322135 (5.71371e-08% change) linmin: converged after 10 iterations. iteration 867: trace = 2.449292861850314 (1.92636e-08% change) linmin: converged after 3 iterations. iteration 868: trace = 2.449292860966873 (3.60693e-08% change) linmin: converged after 4 iterations. iteration 869: trace = 2.449292859552119 (5.77617e-08% change) linmin: converged after 4 iterations. iteration 870: trace = 2.449292859154904 (1.62175e-08% change) large trace change predicted (4.8918e-08%) linmin: converged after 10 iterations. iteration 871: trace = 2.449292857956749 (4.89184e-08% change) linmin: converged after 2 iterations. iteration 872: trace = 2.449292856382815 (6.42607e-08% change) linmin: converged after 9 iterations. iteration 873: trace = 2.449292855380105 (4.09388e-08% change) linmin: converged after 4 iterations. iteration 874: trace = 2.449292854638 (3.02987e-08% change) linmin: converged after 4 iterations. iteration 875: trace = 2.449292853422763 (4.96158e-08% change) linmin: converged after 5 iterations. iteration 876: trace = 2.449292852498708 (3.77274e-08% change) linmin: converged after 14 iterations. iteration 877: trace = 2.44929285225404 (9.98934e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.449292851784123 (1.91858e-08% change) linmin: converged after 4 iterations. iteration 879: trace = 2.449292851010172 (3.15989e-08% change) linmin: converged after 4 iterations. iteration 880: trace = 2.449292850751648 (1.05551e-08% change) large trace change predicted (4.84129e-08%) linmin: converged after 8 iterations. iteration 881: trace = 2.449292849565906 (4.84116e-08% change) linmin: converged after 5 iterations. iteration 882: trace = 2.449292848174789 (5.67967e-08% change) linmin: converged after 18 iterations. iteration 883: trace = 2.44929284758822 (2.39485e-08% change) large trace change predicted (5.19972e-08%) linmin: converged after 12 iterations. iteration 884: trace = 2.449292846314686 (5.1996e-08% change) linmin: converged after 5 iterations. iteration 885: trace = 2.449292844211046 (8.58876e-08% change) linmin: converged after 4 iterations. iteration 886: trace = 2.449292843787505 (1.72924e-08% change) large trace change predicted (5.4608e-08%) linmin: converged after 10 iterations. iteration 887: trace = 2.449292842449995 (5.4608e-08% change) linmin: converged after 5 iterations. iteration 888: trace = 2.449292840974808 (6.02291e-08% change) linmin: converged after 6 iterations. iteration 889: trace = 2.449292840239777 (3.00099e-08% change) large trace change predicted (8.99008e-08%) linmin: converged after 7 iterations. iteration 890: trace = 2.449292838037817 (8.99019e-08% change) linmin: converged after 11 iterations. iteration 891: trace = 2.449292836459192 (6.44523e-08% change) linmin: converged after 5 iterations. iteration 892: trace = 2.449292836045462 (1.68918e-08% change) large trace change predicted (5.18763e-08%) linmin: converged after 41 iterations. iteration 893: trace = 2.449292834774843 (5.1877e-08% change) linmin: converged after 12 iterations. iteration 894: trace = 2.449292833546775 (5.01397e-08% change) linmin: converged after 4 iterations. iteration 895: trace = 2.449292833176676 (1.51104e-08% change) large trace change predicted (3.96536e-08%) linmin: converged after 6 iterations. iteration 896: trace = 2.449292832205436 (3.96539e-08% change) linmin: converged after 3 iterations. iteration 897: trace = 2.449292831623656 (2.3753e-08% change) linmin: converged after 3 iterations. iteration 898: trace = 2.449292831317547 (1.24978e-08% change) linmin: converged after 4 iterations. iteration 899: trace = 2.449292830721409 (2.43392e-08% change) linmin: converged after 2 iterations. iteration 900: trace = 2.449292829813082 (3.70853e-08% change) linmin: converged after 7 iterations. iteration 901: trace = 2.449292829246363 (2.31381e-08% change) large trace change predicted (4.93449e-08%) linmin: converged after 4 iterations. iteration 902: trace = 2.449292828037762 (4.93449e-08% change) linmin: converged after 4 iterations. iteration 903: trace = 2.449292826549731 (6.07535e-08% change) linmin: converged after 4 iterations. iteration 904: trace = 2.449292826112185 (1.78642e-08% change) linmin: converged after 4 iterations. iteration 905: trace = 2.449292825291375 (3.35121e-08% change) large trace change predicted (8.60286e-08%) linmin: converged after 4 iterations. iteration 906: trace = 2.449292823184289 (8.60283e-08% change) linmin: converged after 14 iterations. iteration 907: trace = 2.449292822541658 (2.62374e-08% change) large trace change predicted (1.33293e-07%) linmin: converged after 4 iterations. iteration 908: trace = 2.449292819276921 (1.33293e-07% change) linmin: converged after 16 iterations. iteration 909: trace = 2.449292814908259 (1.78364e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 910: trace = 2.449292812393064 (1.02691e-07% change) linmin: converged after 4 iterations. iteration 911: trace = 2.449292810570963 (7.43929e-08% change) linmin: converged after 4 iterations. iteration 912: trace = 2.449292808084921 (1.015e-07% change) linmin: converged after 3 iterations. iteration 913: trace = 2.449292806858005 (5.00927e-08% change) linmin: converged after 7 iterations. iteration 914: trace = 2.449292806344212 (2.09772e-08% change) linmin: converged after 2 iterations. iteration 915: trace = 2.449292805675946 (2.7284e-08% change) linmin: converged after 8 iterations. iteration 916: trace = 2.449292805068025 (2.48203e-08% change) linmin: converged after 2 iterations. iteration 917: trace = 2.449292804596136 (1.92664e-08% change) large trace change predicted (4.07602e-08%) linmin: converged after 4 iterations. iteration 918: trace = 2.449292803597798 (4.07602e-08% change) linmin: converged after 20 iterations. iteration 919: trace = 2.449292803399901 (8.07975e-09% change) large trace change predicted (1.9408e-08%) linmin: converged after 4 iterations. iteration 920: trace = 2.449292802924537 (1.94082e-08% change) linmin: converged after 4 iterations. iteration 921: trace = 2.449292802465405 (1.87455e-08% change) linmin: converged after 24 iterations. iteration 922: trace = 2.449292802340246 (5.10997e-09% change) large trace change predicted (1.44896e-08%) linmin: converged after 5 iterations. iteration 923: trace = 2.449292801985368 (1.4489e-08% change) linmin: converged after 4 iterations. iteration 924: trace = 2.449292801428902 (2.27195e-08% change) linmin: converged after 4 iterations. iteration 925: trace = 2.449292801204366 (9.16738e-09% change) large trace change predicted (3.11662e-08%) linmin: converged after 5 iterations. iteration 926: trace = 2.449292800441025 (3.11658e-08% change) linmin: converged after 4 iterations. iteration 927: trace = 2.449292799791718 (2.651e-08% change) linmin: converged after 3 iterations. iteration 928: trace = 2.449292799491786 (1.22457e-08% change) large trace change predicted (2.89188e-08%) linmin: converged after 6 iterations. iteration 929: trace = 2.449292798783482 (2.89187e-08% change) linmin: converged after 4 iterations. iteration 930: trace = 2.449292797840208 (3.85121e-08% change) linmin: converged after 9 iterations. iteration 931: trace = 2.449292797400267 (1.7962e-08% change) linmin: converged after 4 iterations. iteration 932: trace = 2.449292796885245 (2.10273e-08% change) linmin: converged after 4 iterations. iteration 933: trace = 2.449292796132202 (3.07453e-08% change) linmin: converged after 2 iterations. iteration 934: trace = 2.449292795931357 (8.20013e-09% change) large trace change predicted (3.19787e-08%) linmin: converged after 9 iterations. iteration 935: trace = 2.44929279514811 (3.19785e-08% change) linmin: converged after 7 iterations. iteration 936: trace = 2.449292794493852 (2.67121e-08% change) linmin: converged after 4 iterations. iteration 937: trace = 2.449292794030775 (1.89065e-08% change) linmin: converged after 4 iterations. iteration 938: trace = 2.44929279386145 (6.91324e-09% change) large trace change predicted (2.03651e-08%) linmin: converged after 6 iterations. iteration 939: trace = 2.449292793362641 (2.03654e-08% change) linmin: converged after 2 iterations. iteration 940: trace = 2.449292793128961 (9.5407e-09% change) linmin: converged after 4 iterations. iteration 941: trace = 2.449292792997828 (5.35391e-09% change) linmin: converged after 3 iterations. iteration 942: trace = 2.449292792763263 (9.57684e-09% change) linmin: converged after 4 iterations. iteration 943: trace = 2.44929279237176 (1.59843e-08% change) linmin: converged after 4 iterations. iteration 944: trace = 2.449292792190978 (7.38103e-09% change) large trace change predicted (1.71223e-08%) linmin: converged after 6 iterations. iteration 945: trace = 2.449292791771602 (1.71223e-08% change) linmin: converged after 6 iterations. iteration 946: trace = 2.449292791299036 (1.9294e-08% change) linmin: converged after 4 iterations. iteration 947: trace = 2.449292791119835 (7.31644e-09% change) large trace change predicted (2.17749e-08%) linmin: converged after 3 iterations. iteration 948: trace = 2.449292790586502 (2.1775e-08% change) linmin: converged after 4 iterations. iteration 949: trace = 2.449292790121263 (1.89948e-08% change) linmin: converged after 2 iterations. iteration 950: trace = 2.449292789926099 (7.96815e-09% change) linmin: converged after 8 iterations. iteration 951: trace = 2.449292789538755 (1.58145e-08% change) linmin: converged after 10 iterations. iteration 952: trace = 2.449292789140467 (1.62614e-08% change) linmin: converged after 6 iterations. iteration 953: trace = 2.449292788976283 (6.70331e-09% change) linmin: converged after 22 iterations. iteration 954: trace = 2.449292788681762 (1.20247e-08% change) large trace change predicted (2.62115e-08%) linmin: converged after 4 iterations. iteration 955: trace = 2.449292788039787 (2.62106e-08% change) linmin: converged after 6 iterations. iteration 956: trace = 2.449292787913581 (5.15276e-09% change) large trace change predicted (1.67446e-08%) linmin: converged after 4 iterations. iteration 957: trace = 2.449292787503457 (1.67446e-08% change) linmin: converged after 4 iterations. iteration 958: trace = 2.449292787290118 (8.71022e-09% change) linmin: converged after 4 iterations. iteration 959: trace = 2.449292787196471 (3.82344e-09% change) large trace change predicted (9.18532e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.449292786971499 (9.18517e-09% change) linmin: converged after 4 iterations. iteration 961: trace = 2.449292786682367 (1.18047e-08% change) linmin: converged after 4 iterations. iteration 962: trace = 2.449292786570358 (4.57312e-09% change) large trace change predicted (1.07073e-08%) linmin: converged after 4 iterations. iteration 963: trace = 2.449292786308102 (1.07074e-08% change) linmin: converged after 4 iterations. iteration 964: trace = 2.449292786049144 (1.05728e-08% change) linmin: converged after 4 iterations. iteration 965: trace = 2.449292785911144 (5.63427e-09% change) large trace change predicted (1.4625e-08%) linmin: converged after 17 iterations. iteration 966: trace = 2.449292785552943 (1.46247e-08% change) linmin: converged after 4 iterations. iteration 967: trace = 2.449292785055311 (2.03174e-08% change) linmin: converged after 5 iterations. iteration 968: trace = 2.449292784832112 (9.11282e-09% change) linmin: converged after 4 iterations. iteration 969: trace = 2.44929278463757 (7.94275e-09% change) linmin: converged after 4 iterations. iteration 970: trace = 2.449292784386425 (1.02538e-08% change) linmin: converged after 5 iterations. iteration 971: trace = 2.449292784060509 (1.33066e-08% change) linmin: converged after 6 iterations. iteration 972: trace = 2.449292783980661 (3.26003e-09% change) large trace change predicted (1.10923e-08%) linmin: converged after 18 iterations. iteration 973: trace = 2.449292783708979 (1.10923e-08% change) linmin: converged after 13 iterations. iteration 974: trace = 2.44929278345733 (1.02743e-08% change) linmin: converged after 4 iterations. iteration 975: trace = 2.449292783338016 (4.87138e-09% change) large trace change predicted (1.2259e-08%) linmin: converged after 4 iterations. iteration 976: trace = 2.449292783037754 (1.22591e-08% change) linmin: converged after 20 iterations. iteration 977: trace = 2.449292782924272 (4.63326e-09% change) linmin: converged after 5 iterations. iteration 978: trace = 2.449292782877337 (1.91626e-09% change) linmin: converged after 4 iterations. iteration 979: trace = 2.449292782801074 (3.11367e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 980: trace = 2.449292782736586 (2.63292e-09% change) linmin: converged after 4 iterations. iteration 981: trace = 2.449292782706129 (1.24352e-09% change) large trace change predicted (4.40222e-09%) linmin: converged after 5 iterations. iteration 982: trace = 2.449292782598297 (4.40258e-09% change) linmin: converged after 15 iterations. iteration 983: trace = 2.449292782386536 (8.64581e-09% change) linmin: converged after 5 iterations. iteration 984: trace = 2.449292782280218 (4.34075e-09% change) large trace change predicted (1.06397e-08%) linmin: converged after 4 iterations. iteration 985: trace = 2.44929278201962 (1.06398e-08% change) linmin: converged after 22 iterations. iteration 986: trace = 2.449292781781561 (9.71948e-09% change) linmin: converged after 17 iterations. iteration 987: trace = 2.44929278169817 (3.40468e-09% change) large trace change predicted (1.20999e-08%) linmin: converged after 4 iterations. iteration 988: trace = 2.449292781401811 (1.20998e-08% change) linmin: converged after 4 iterations. iteration 989: trace = 2.449292781260783 (5.75789e-09% change) linmin: converged after 15 iterations. iteration 990: trace = 2.449292781153036 (4.39911e-09% change) large trace change predicted (1.05717e-08%) linmin: converged after 4 iterations. iteration 991: trace = 2.449292780894103 (1.05718e-08% change) linmin: converged after 4 iterations. iteration 992: trace = 2.449292780607391 (1.17059e-08% change) linmin: converged after 9 iterations. iteration 993: trace = 2.449292780455747 (6.19132e-09% change) linmin: converged after 4 iterations. iteration 994: trace = 2.449292780160332 (1.20613e-08% change) linmin: converged after 4 iterations. iteration 995: trace = 2.449292779996815 (6.67606e-09% change) linmin: converged after 8 iterations. iteration 996: trace = 2.449292779835605 (6.58192e-09% change) linmin: converged after 5 iterations. iteration 997: trace = 2.449292779615555 (8.98423e-09% change) linmin: converged after 4 iterations. iteration 998: trace = 2.449292779407375 (8.49957e-09% change) linmin: converged after 4 iterations. iteration 999: trace = 2.449292779348755 (2.39337e-09% change) large trace change predicted (7.53794e-09%) linmin: converged after 5 iterations. iteration 1000: trace = 2.449292779164133 (7.53775e-09% change) linmin: converged after 4 iterations. iteration 1001: trace = 2.449292779034311 (5.3004e-09% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.449292778951312 (3.38869e-09% change) large trace change predicted (1.29179e-08%) linmin: converged after 9 iterations. iteration 1003: trace = 2.449292778634904 (1.29183e-08% change) linmin: converged after 2 iterations. iteration 1004: trace = 2.449292778249367 (1.57407e-08% change) linmin: converged after 9 iterations. iteration 1005: trace = 2.449292778178586 (2.88988e-09% change) large trace change predicted (9.92933e-09%) linmin: converged after 4 iterations. iteration 1006: trace = 2.449292777935386 (9.92938e-09% change) linmin: converged after 5 iterations. iteration 1007: trace = 2.449292777673786 (1.06807e-08% change) linmin: converged after 3 iterations. iteration 1008: trace = 2.449292777479335 (7.93905e-09% change) linmin: converged after 7 iterations. iteration 1009: trace = 2.449292777311001 (6.87275e-09% change) linmin: converged after 11 iterations. iteration 1010: trace = 2.449292777087547 (9.12321e-09% change) linmin: converged after 7 iterations. iteration 1011: trace = 2.449292776924163 (6.67066e-09% change) linmin: converged after 7 iterations. iteration 1012: trace = 2.449292776731667 (7.85924e-09% change) linmin: converged after 7 iterations. iteration 1013: trace = 2.449292776449633 (1.15149e-08% change) linmin: converged after 5 iterations. iteration 1014: trace = 2.449292776244336 (8.38188e-09% change) linmin: converged after 18 iterations. iteration 1015: trace = 2.449292776098047 (5.97273e-09% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.44929277588989 (8.49862e-09% change) linmin: converged after 4 iterations. iteration 1017: trace = 2.449292775788705 (4.1312e-09% change) linmin: converged after 16 iterations. iteration 1018: trace = 2.449292775740269 (1.97755e-09% change) large trace change predicted (6.09887e-09%) linmin: converged after 4 iterations. iteration 1019: trace = 2.449292775590888 (6.09896e-09% change) linmin: converged after 6 iterations. iteration 1020: trace = 2.449292775459265 (5.37393e-09% change) linmin: converged after 4 iterations. iteration 1021: trace = 2.449292775319269 (5.71575e-09% change) large trace change predicted (1.17394e-08%) linmin: converged after 4 iterations. iteration 1022: trace = 2.449292775031733 (1.17395e-08% change) linmin: converged after 4 iterations. iteration 1023: trace = 2.449292774727794 (1.24093e-08% change) linmin: converged after 3 iterations. iteration 1024: trace = 2.4492927746411 (3.53952e-09% change) large trace change predicted (1.7448e-08%) linmin: converged after 4 iterations. iteration 1025: trace = 2.449292774213753 (1.74478e-08% change) linmin: converged after 18 iterations. iteration 1026: trace = 2.449292773988128 (9.21187e-09% change) linmin: converged after 3 iterations. iteration 1027: trace = 2.449292773860159 (5.2247e-09% change) large trace change predicted (1.10361e-08%) linmin: converged after 5 iterations. iteration 1028: trace = 2.449292773589856 (1.1036e-08% change) linmin: converged after 12 iterations. iteration 1029: trace = 2.449292773127269 (1.88866e-08% change) linmin: converged after 7 iterations. iteration 1030: trace = 2.449292773046314 (3.30523e-09% change) large trace change predicted (1.46883e-08%) linmin: converged after 19 iterations. iteration 1031: trace = 2.449292772686544 (1.46887e-08% change) linmin: converged after 12 iterations. iteration 1032: trace = 2.449292772447815 (9.74686e-09% change) linmin: converged after 4 iterations. iteration 1033: trace = 2.449292772363141 (3.45708e-09% change) large trace change predicted (1.02046e-08%) linmin: converged after 4 iterations. iteration 1034: trace = 2.449292772113195 (1.02048e-08% change) linmin: converged after 4 iterations. iteration 1035: trace = 2.449292771901972 (8.62384e-09% change) linmin: converged after 15 iterations. iteration 1036: trace = 2.449292771859989 (1.71412e-09% change) large trace change predicted (4.99843e-09%) linmin: converged after 4 iterations. iteration 1037: trace = 2.449292771737559 (4.99855e-09% change) linmin: converged after 11 iterations. iteration 1038: trace = 2.449292771574586 (6.65389e-09% change) linmin: converged after 4 iterations. iteration 1039: trace = 2.449292771444928 (5.29371e-09% change) linmin: converged after 17 iterations. iteration 1040: trace = 2.449292771376859 (2.77911e-09% change) large trace change predicted (1.16963e-08%) linmin: converged after 2 iterations. iteration 1041: trace = 2.449292771090374 (1.16967e-08% change) linmin: converged after 17 iterations. iteration 1042: trace = 2.449292770860522 (9.38441e-09% change) linmin: converged after 4 iterations. iteration 1043: trace = 2.449292770740974 (4.8809e-09% change) linmin: converged after 4 iterations. iteration 1044: trace = 2.449292770522123 (8.93528e-09% change) linmin: converged after 3 iterations. iteration 1045: trace = 2.449292770200719 (1.31223e-08% change) linmin: converged after 3 iterations. iteration 1046: trace = 2.44929277003367 (6.8203e-09% change) large trace change predicted (2.04497e-08%) linmin: converged after 6 iterations. iteration 1047: trace = 2.449292769532792 (2.04499e-08% change) linmin: converged after 5 iterations. iteration 1048: trace = 2.449292769219966 (1.27721e-08% change) linmin: converged after 4 iterations. iteration 1049: trace = 2.44929276879008 (1.75514e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 1050: trace = 2.449292768390965 (1.62951e-08% change) linmin: converged after 6 iterations. iteration 1051: trace = 2.449292768128785 (1.07043e-08% change) linmin: converged after 12 iterations. iteration 1052: trace = 2.449292767724566 (1.65035e-08% change) linmin: converged after 9 iterations. iteration 1053: trace = 2.449292767603756 (4.93243e-09% change) large trace change predicted (1.02129e-08%) linmin: converged after 10 iterations. iteration 1054: trace = 2.449292767353613 (1.02129e-08% change) linmin: converged after 4 iterations. iteration 1055: trace = 2.449292767190382 (6.6644e-09% change) linmin: converged after 27 iterations. iteration 1056: trace = 2.449292767108253 (3.35317e-09% change) linmin: converged after 4 iterations. iteration 1057: trace = 2.449292766948267 (6.53192e-09% change) linmin: converged after 3 iterations. iteration 1058: trace = 2.44929276676254 (7.5829e-09% change) linmin: converged after 4 iterations. iteration 1059: trace = 2.449292766721548 (1.67361e-09% change) large trace change predicted (3.82108e-09%) linmin: converged after 3 iterations. iteration 1060: trace = 2.44929276662795 (3.82145e-09% change) linmin: converged after 3 iterations. iteration 1061: trace = 2.449292766522554 (4.30313e-09% change) linmin: converged after 6 iterations. iteration 1062: trace = 2.449292766486206 (1.48401e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 5 iterations. iteration 1063: trace = 2.449292766408937 (3.15472e-09% change) linmin: converged after 5 iterations. iteration 1064: trace = 2.449292766281056 (5.22115e-09% change) linmin: converged after 18 iterations. iteration 1065: trace = 2.449292766234763 (1.89005e-09% change) large trace change predicted (6.12863e-09%) linmin: converged after 4 iterations. iteration 1066: trace = 2.449292766084668 (6.12813e-09% change) linmin: converged after 4 iterations. iteration 1067: trace = 2.449292765939092 (5.94356e-09% change) linmin: converged after 4 iterations. iteration 1068: trace = 2.449292765766888 (7.03078e-09% change) linmin: converged after 5 iterations. iteration 1069: trace = 2.449292765695915 (2.89769e-09% change) large trace change predicted (8.797e-09%) linmin: converged after 4 iterations. iteration 1070: trace = 2.449292765480459 (8.79665e-09% change) linmin: converged after 15 iterations. iteration 1071: trace = 2.449292765362018 (4.83571e-09% change) linmin: converged after 8 iterations. iteration 1072: trace = 2.449292765301362 (2.4765e-09% change) large trace change predicted (5.04e-09%) linmin: converged after 24 iterations. iteration 1073: trace = 2.449292765177919 (5.03993e-09% change) linmin: converged after 13 iterations. iteration 1074: trace = 2.44929276508768 (3.6843e-09% change) linmin: converged after 4 iterations. iteration 1075: trace = 2.449292764952729 (5.5098e-09% change) linmin: converged after 4 iterations. iteration 1076: trace = 2.449292764804856 (6.03735e-09% change) linmin: converged after 10 iterations. iteration 1077: trace = 2.449292764759179 (1.86492e-09% change) linmin: converged after 4 iterations. iteration 1078: trace = 2.449292764670067 (3.63829e-09% change) linmin: converged after 5 iterations. iteration 1079: trace = 2.449292764576132 (3.83516e-09% change) linmin: converged after 20 iterations. iteration 1080: trace = 2.449292764508781 (2.74985e-09% change) linmin: converged after 4 iterations. iteration 1081: trace = 2.44929276448999 (7.67173e-10% change) large trace change predicted (2.00185e-09%) linmin: converged after 4 iterations. iteration 1082: trace = 2.449292764440962 (2.00172e-09% change) linmin: converged after 3 iterations. iteration 1083: trace = 2.449292764352703 (3.60347e-09% change) linmin: converged after 6 iterations. iteration 1084: trace = 2.449292764319538 (1.35407e-09% change) large trace change predicted (4.4461e-09%) linmin: converged after 2 iterations. iteration 1085: trace = 2.449292764210626 (4.44665e-09% change) linmin: converged after 8 iterations. iteration 1086: trace = 2.449292764104184 (4.34582e-09% change) linmin: converged after 6 iterations. iteration 1087: trace = 2.449292764040278 (2.60915e-09% change) linmin: converged after 6 iterations. iteration 1088: trace = 2.449292763952479 (3.58469e-09% change) linmin: converged after 4 iterations. iteration 1089: trace = 2.449292763865729 (3.54185e-09% change) linmin: converged after 20 iterations. iteration 1090: trace = 2.449292763825361 (1.64816e-09% change) large trace change predicted (3.82418e-09%) linmin: converged after 10 iterations. iteration 1091: trace = 2.449292763731694 (3.82424e-09% change) linmin: converged after 5 iterations. iteration 1092: trace = 2.449292763656467 (3.07137e-09% change) linmin: converged after 18 iterations. iteration 1093: trace = 2.449292763623592 (1.34223e-09% change) large trace change predicted (2.95482e-09%) linmin: converged after 9 iterations. iteration 1094: trace = 2.449292763551219 (2.95484e-09% change) linmin: converged after 14 iterations. iteration 1095: trace = 2.44929276342259 (5.25168e-09% change) linmin: converged after 3 iterations. iteration 1096: trace = 2.449292763402339 (8.26788e-10% change) large trace change predicted (3.71481e-09%) linmin: converged after 3 iterations. iteration 1097: trace = 2.449292763311348 (3.715e-09% change) linmin: converged after 3 iterations. iteration 1098: trace = 2.449292763266317 (1.83855e-09% change) linmin: converged after 13 iterations. iteration 1099: trace = 2.44929276323546 (1.25984e-09% change) linmin: converged after 9 iterations. iteration 1100: trace = 2.449292763202825 (1.33242e-09% change) large trace change predicted (2.87019e-09%) linmin: converged after 12 iterations. iteration 1101: trace = 2.449292763132513 (2.87071e-09% change) linmin: converged after 4 iterations. iteration 1102: trace = 2.449292763104338 (1.15031e-09% change) linmin: converged after 4 iterations. iteration 1103: trace = 2.449292763058433 (1.87423e-09% change) linmin: converged after 2 iterations. iteration 1104: trace = 2.449292762984287 (3.02724e-09% change) linmin: converged after 3 iterations. iteration 1105: trace = 2.449292762938214 (1.88107e-09% change) linmin: converged after 5 iterations. iteration 1106: trace = 2.449292762890886 (1.93229e-09% change) large trace change predicted (4.35628e-09%) linmin: converged after 5 iterations. iteration 1107: trace = 2.449292762784181 (4.35659e-09% change) linmin: converged after 6 iterations. iteration 1108: trace = 2.449292762726238 (2.36568e-09% change) linmin: converged after 13 iterations. iteration 1109: trace = 2.449292762693443 (1.33894e-09% change) linmin: converged after 14 iterations. iteration 1110: trace = 2.449292762642759 (2.06933e-09% change) linmin: converged after 3 iterations. iteration 1111: trace = 2.449292762605331 (1.52813e-09% change) linmin: converged after 20 iterations. iteration 1112: trace = 2.449292762561192 (1.80213e-09% change) linmin: converged after 5 iterations. iteration 1113: trace = 2.449292762488975 (2.94846e-09% change) linmin: converged after 4 iterations. iteration 1114: trace = 2.449292762463506 (1.03987e-09% change) large trace change predicted (2.25058e-09%) linmin: converged after 4 iterations. iteration 1115: trace = 2.449292762408382 (2.25061e-09% change) linmin: converged after 4 iterations. iteration 1116: trace = 2.449292762349442 (2.40641e-09% change) linmin: converged after 6 iterations. iteration 1117: trace = 2.449292762320745 (1.17163e-09% change) linmin: converged after 4 iterations. iteration 1118: trace = 2.449292762312784 (3.25058e-10% change) linmin: converged after 6 iterations. iteration 1119: trace = 2.449292762302037 (4.3876e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 1120: trace = 2.449292762291865 (4.15316e-10% change) linmin: converged after 7 iterations. iteration 1121: trace = 2.449292762284672 (2.93691e-10% change) large trace change predicted (1.05281e-09%) linmin: converged after 5 iterations. iteration 1122: trace = 2.449292762258884 (1.05285e-09% change) linmin: converged after 5 iterations. iteration 1123: trace = 2.449292762239086 (8.08331e-10% change) large trace change predicted (1.78475e-09%) linmin: converged after 4 iterations. iteration 1124: trace = 2.449292762195369 (1.78488e-09% change) linmin: converged after 6 iterations. iteration 1125: trace = 2.449292762138346 (2.32815e-09% change) linmin: converged after 15 iterations. iteration 1126: trace = 2.449292762099618 (1.58116e-09% change) linmin: converged after 7 iterations. iteration 1127: trace = 2.4492927620664 (1.35622e-09% change) linmin: converged after 4 iterations. iteration 1128: trace = 2.449292762003416 (2.57155e-09% change) linmin: converged after 12 iterations. iteration 1129: trace = 2.449292761979819 (9.63408e-10% change) linmin: converged after 6 iterations. iteration 1130: trace = 2.44929276195271 (1.10683e-09% change) large trace change predicted (2.50833e-09%) linmin: converged after 16 iterations. iteration 1131: trace = 2.449292761891278 (2.50812e-09% change) linmin: converged after 15 iterations. iteration 1132: trace = 2.449292761857699 (1.37098e-09% change) linmin: converged after 24 iterations. iteration 1133: trace = 2.449292761796992 (2.47857e-09% change) linmin: converged after 4 iterations. iteration 1134: trace = 2.449292761732873 (2.61785e-09% change) linmin: converged after 9 iterations. iteration 1135: trace = 2.449292761700014 (1.34155e-09% change) linmin: converged after 13 iterations. iteration 1136: trace = 2.449292761662959 (1.51288e-09% change) linmin: converged after 16 iterations. iteration 1137: trace = 2.449292761615074 (1.95506e-09% change) linmin: converged after 4 iterations. iteration 1138: trace = 2.449292761584487 (1.24879e-09% change) linmin: converged after 9 iterations. iteration 1139: trace = 2.449292761555222 (1.19485e-09% change) linmin: converged after 17 iterations. iteration 1140: trace = 2.449292761518958 (1.48059e-09% change) linmin: converged after 15 iterations. iteration 1141: trace = 2.449292761490439 (1.16436e-09% change) linmin: converged after 6 iterations. iteration 1142: trace = 2.44929276147636 (5.74817e-10% change) large trace change predicted (2.78319e-09%) linmin: converged after 18 iterations. iteration 1143: trace = 2.44929276140819 (2.78327e-09% change) linmin: converged after 16 iterations. iteration 1144: trace = 2.449292761345009 (2.57956e-09% change) linmin: converged after 4 iterations. iteration 1145: trace = 2.44929276131443 (1.2485e-09% change) linmin: converged after 4 iterations. iteration 1146: trace = 2.449292761266779 (1.94549e-09% change) linmin: converged after 4 iterations. iteration 1147: trace = 2.449292761203063 (2.60139e-09% change) linmin: converged after 10 iterations. iteration 1148: trace = 2.449292761177097 (1.06014e-09% change) linmin: converged after 11 iterations. iteration 1149: trace = 2.449292761128534 (1.98275e-09% change) linmin: converged after 3 iterations. iteration 1150: trace = 2.449292761081884 (1.90462e-09% change) linmin: converged after 8 iterations. iteration 1151: trace = 2.449292761013441 (2.7944e-09% change) linmin: converged after 4 iterations. iteration 1152: trace = 2.449292760995565 (7.2984e-10% change) large trace change predicted (2.3726e-09%) linmin: converged after 4 iterations. iteration 1153: trace = 2.449292760937457 (2.37245e-09% change) linmin: converged after 7 iterations. iteration 1154: trace = 2.449292760879771 (2.35519e-09% change) linmin: converged after 6 iterations. iteration 1155: trace = 2.449292760859085 (8.44575e-10% change) large trace change predicted (1.70114e-09%) linmin: converged after 3 iterations. iteration 1156: trace = 2.449292760817419 (1.70117e-09% change) linmin: converged after 3 iterations. iteration 1157: trace = 2.449292760786551 (1.26027e-09% change) linmin: converged after 7 iterations. iteration 1158: trace = 2.449292760777601 (3.65419e-10% change) large trace change predicted (1.36693e-09%) linmin: converged after 20 iterations. iteration 1159: trace = 2.449292760744122 (1.36688e-09% change) linmin: converged after 4 iterations. iteration 1160: trace = 2.449292760698735 (1.85304e-09% change) linmin: converged after 18 iterations. iteration 1161: trace = 2.449292760682941 (6.44841e-10% change) large trace change predicted (2.22976e-09%) linmin: converged after 14 iterations. iteration 1162: trace = 2.449292760628325 (2.22986e-09% change) linmin: converged after 6 iterations. iteration 1163: trace = 2.449292760553186 (3.0678e-09% change) linmin: converged after 15 iterations. iteration 1164: trace = 2.449292760530432 (9.29013e-10% change) large trace change predicted (3.35936e-09%) linmin: converged after 4 iterations. iteration 1165: trace = 2.449292760448156 (3.35917e-09% change) linmin: converged after 12 iterations. iteration 1166: trace = 2.449292760405035 (1.76053e-09% change) linmin: converged after 3 iterations. iteration 1167: trace = 2.44929276038233 (9.27018e-10% change) large trace change predicted (2.74379e-09%) linmin: converged after 2 iterations. iteration 1168: trace = 2.449292760315133 (2.74351e-09% change) linmin: converged after 5 iterations. iteration 1169: trace = 2.449292760232028 (3.39302e-09% change) linmin: converged after 13 iterations. iteration 1170: trace = 2.449292760210748 (8.68835e-10% change) large trace change predicted (3.21979e-09%) linmin: converged after 4 iterations. iteration 1171: trace = 2.449292760131882 (3.21994e-09% change) linmin: converged after 7 iterations. iteration 1172: trace = 2.44929276007937 (2.14397e-09% change) linmin: converged after 4 iterations. iteration 1173: trace = 2.449292760040843 (1.57298e-09% change) linmin: converged after 21 iterations. iteration 1174: trace = 2.449292760008499 (1.32054e-09% change) linmin: converged after 5 iterations. iteration 1175: trace = 2.449292759963597 (1.83328e-09% change) linmin: converged after 7 iterations. iteration 1176: trace = 2.449292759941327 (9.09232e-10% change) linmin: converged after 4 iterations. iteration 1177: trace = 2.449292759930403 (4.45994e-10% change) large trace change predicted (1.26368e-09%) linmin: converged after 4 iterations. iteration 1178: trace = 2.449292759899457 (1.26346e-09% change) linmin: converged after 3 iterations. iteration 1179: trace = 2.449292759856346 (1.76015e-09% change) linmin: converged after 4 iterations. iteration 1180: trace = 2.449292759834289 (9.00547e-10% change) large trace change predicted (1.90927e-09%) linmin: converged after 15 iterations. iteration 1181: trace = 2.44929275978753 (1.90907e-09% change) linmin: converged after 5 iterations. iteration 1182: trace = 2.449292759740735 (1.91055e-09% change) linmin: converged after 13 iterations. iteration 1183: trace = 2.449292759716291 (9.98021e-10% change) large trace change predicted (2.04248e-09%) linmin: converged after 13 iterations. iteration 1184: trace = 2.449292759666267 (2.0424e-09% change) linmin: converged after 5 iterations. iteration 1185: trace = 2.449292759589927 (3.11681e-09% change) linmin: converged after 13 iterations. iteration 1186: trace = 2.449292759560856 (1.18689e-09% change) large trace change predicted (4.22091e-09%) linmin: converged after 21 iterations. iteration 1187: trace = 2.449292759457477 (4.22079e-09% change) linmin: converged after 9 iterations. iteration 1188: trace = 2.449292759355255 (4.17352e-09% change) linmin: converged after 2 iterations. iteration 1189: trace = 2.449292759285013 (2.86783e-09% change) resetting CG direction... linmin: converged after 5 iterations. iteration 1190: trace = 2.449292759218539 (2.71404e-09% change) linmin: converged after 4 iterations. iteration 1191: trace = 2.449292759131809 (3.54101e-09% change) linmin: converged after 9 iterations. iteration 1192: trace = 2.449292759050741 (3.30986e-09% change) linmin: converged after 16 iterations. iteration 1193: trace = 2.449292759029729 (8.57884e-10% change) large trace change predicted (2.32367e-09%) linmin: converged after 22 iterations. iteration 1194: trace = 2.449292758972808 (2.32396e-09% change) linmin: converged after 3 iterations. iteration 1195: trace = 2.449292758938468 (1.40204e-09% change) linmin: converged after 4 iterations. iteration 1196: trace = 2.449292758921942 (6.74739e-10% change) large trace change predicted (1.40069e-09%) linmin: converged after 14 iterations. iteration 1197: trace = 2.449292758887621 (1.40124e-09% change) linmin: converged after 7 iterations. iteration 1198: trace = 2.449292758857818 (1.21681e-09% change) linmin: converged after 12 iterations. iteration 1199: trace = 2.449292758842747 (6.15305e-10% change) linmin: converged after 6 iterations. iteration 1200: trace = 2.44929275881523 (1.12349e-09% change) linmin: converged after 13 iterations. iteration 1201: trace = 2.449292758799249 (6.52438e-10% change) linmin: converged after 3 iterations. iteration 1202: trace = 2.449292758789549 (3.96043e-10% change) large trace change predicted (7.98141e-10%) linmin: converged after 6 iterations. iteration 1203: trace = 2.449292758770009 (7.97796e-10% change) linmin: converged after 8 iterations. iteration 1204: trace = 2.449292758745472 (1.00177e-09% change) linmin: converged after 4 iterations. iteration 1205: trace = 2.449292758734434 (4.50672e-10% change) large trace change predicted (1.46401e-09%) linmin: converged after 3 iterations. iteration 1206: trace = 2.449292758698573 (1.46414e-09% change) linmin: converged after 20 iterations. iteration 1207: trace = 2.449292758672931 (1.0469e-09% change) linmin: converged after 5 iterations. iteration 1208: trace = 2.449292758659811 (5.35672e-10% change) large trace change predicted (1.8051e-09%) linmin: converged after 4 iterations. iteration 1209: trace = 2.449292758615584 (1.80572e-09% change) linmin: converged after 4 iterations. iteration 1210: trace = 2.449292758578577 (1.51092e-09% change) linmin: converged after 3 iterations. iteration 1211: trace = 2.449292758562544 (6.54613e-10% change) linmin: converged after 4 iterations. iteration 1212: trace = 2.449292758539975 (9.21434e-10% change) linmin: converged after 9 iterations. iteration 1213: trace = 2.449292758509836 (1.23052e-09% change) linmin: converged after 4 iterations. iteration 1214: trace = 2.449292758496518 (5.43758e-10% change) large trace change predicted (1.43e-09%) linmin: converged after 19 iterations. iteration 1215: trace = 2.449292758461497 (1.42985e-09% change) linmin: converged after 2 iterations. iteration 1216: trace = 2.449292758430115 (1.28123e-09% change) linmin: converged after 4 iterations. iteration 1217: trace = 2.449292758407654 (9.17064e-10% change) linmin: converged after 12 iterations. iteration 1218: trace = 2.449292758400862 (2.773e-10% change) large trace change predicted (7.07646e-10%) linmin: converged after 14 iterations. iteration 1219: trace = 2.449292758383526 (7.07811e-10% change) linmin: converged after 7 iterations. iteration 1220: trace = 2.449292758371622 (4.85992e-10% change) linmin: converged after 15 iterations. iteration 1221: trace = 2.449292758365863 (2.35127e-10% change) linmin: converged after 7 iterations. iteration 1222: trace = 2.449292758355705 (4.14736e-10% change) large trace change predicted (8.94645e-10%) linmin: converged after 7 iterations. iteration 1223: trace = 2.449292758333799 (8.944e-10% change) linmin: converged after 4 iterations. iteration 1224: trace = 2.449292758328047 (2.34819e-10% change) large trace change predicted (1.15853e-09%) linmin: converged after 4 iterations. iteration 1225: trace = 2.449292758299672 (1.1585e-09% change) linmin: converged after 6 iterations. iteration 1226: trace = 2.449292758276 (9.6649e-10% change) linmin: converged after 3 iterations. iteration 1227: trace = 2.449292758261559 (5.89613e-10% change) linmin: converged after 5 iterations. iteration 1228: trace = 2.449292758244133 (7.11473e-10% change) linmin: converged after 9 iterations. iteration 1229: trace = 2.44929275822446 (8.032e-10% change) linmin: converged after 6 iterations. iteration 1230: trace = 2.449292758203113 (8.71536e-10% change) linmin: converged after 4 iterations. iteration 1231: trace = 2.449292758196083 (2.87019e-10% change) large trace change predicted (7.16027e-10%) linmin: converged after 2 iterations. iteration 1232: trace = 2.449292758178548 (7.15952e-10% change) linmin: converged after 4 iterations. iteration 1233: trace = 2.449292758161216 (7.07611e-10% change) linmin: converged after 12 iterations. iteration 1234: trace = 2.449292758156217 (2.04122e-10% change) large trace change predicted (1.09127e-09%) linmin: converged after 4 iterations. iteration 1235: trace = 2.4492927581295 (1.0908e-09% change) linmin: converged after 15 iterations. iteration 1236: trace = 2.449292758121641 (3.20852e-10% change) linmin: converged after 8 iterations. iteration 1237: trace = 2.44929275811068 (4.47535e-10% change) linmin: converged after 4 iterations. iteration 1238: trace = 2.449292758099539 (4.54861e-10% change) linmin: converged after 4 iterations. iteration 1239: trace = 2.449292758090224 (3.80323e-10% change) linmin: converged after 4 iterations. iteration 1240: trace = 2.449292758085973 (1.73535e-10% change) large trace change predicted (6.28043e-10%) linmin: converged after 3 iterations. iteration 1241: trace = 2.449292758070583 (6.28377e-10% change) linmin: converged after 3 iterations. iteration 1242: trace = 2.449292758061384 (3.75572e-10% change) linmin: converged after 4 iterations. iteration 1243: trace = 2.449292758053819 (3.08867e-10% change) large trace change predicted (6.64039e-10%) linmin: converged after 13 iterations. iteration 1244: trace = 2.449292758037557 (6.63915e-10% change) linmin: converged after 3 iterations. iteration 1245: trace = 2.449292758021907 (6.38984e-10% change) linmin: converged after 9 iterations. iteration 1246: trace = 2.449292758016809 (2.08148e-10% change) large trace change predicted (8.29566e-10%) linmin: converged after 20 iterations. iteration 1247: trace = 2.449292757996488 (8.29635e-10% change) linmin: converged after 6 iterations. iteration 1248: trace = 2.449292757980615 (6.48068e-10% change) linmin: converged after 4 iterations. iteration 1249: trace = 2.449292757975114 (2.24593e-10% change) large trace change predicted (4.63414e-10%) linmin: converged after 3 iterations. iteration 1250: trace = 2.449292757963765 (4.63382e-10% change) linmin: converged after 3 iterations. iteration 1251: trace = 2.449292757946643 (6.99071e-10% change) linmin: converged after 9 iterations. iteration 1252: trace = 2.449292757938912 (3.15612e-10% change) linmin: converged after 6 iterations. iteration 1253: trace = 2.449292757929192 (3.96858e-10% change) linmin: converged after 4 iterations. iteration 1254: trace = 2.449292757915849 (5.44756e-10% change) linmin: converged after 3 iterations. iteration 1255: trace = 2.44929275790202 (5.64646e-10% change) linmin: converged after 14 iterations. iteration 1256: trace = 2.449292757899889 (8.6976e-11% change) Finished solving for bands 1 to 10 after 1256 iterations. tmfreqs:, 4, 0.5, 0, 0, 0.5, 0.208799, 0.348978, 0.365278, 0.443856, 0.477901, 0.506845, 0.509076, 0.617527, 0.63971, 0.64689 elapsed time for k point: 23.349722146987915 solve_kpoint (0.5,0.166667,0): Solving for bands 1 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.515861282295907 (3.43116% change) linmin: converged after 4 iterations. iteration 2: trace = 2.507854158557765 (0.318773% change) linmin: converged after 4 iterations. iteration 3: trace = 2.499310810787176 (0.341245% change) linmin: converged after 4 iterations. iteration 4: trace = 2.498172896819808 (0.0455395% change) large trace change predicted (0.100542%) linmin: converged after 4 iterations. iteration 5: trace = 2.495678808586637 (0.0998864% change) linmin: converged after 4 iterations. iteration 6: trace = 2.495170541910658 (0.0203679% change) linmin: converged after 4 iterations. iteration 7: trace = 2.494660849825565 (0.0204292% change) linmin: converged after 4 iterations. iteration 8: trace = 2.494389989065191 (0.0108582% change) linmin: converged after 3 iterations. iteration 9: trace = 2.49424031789044 (0.00600049% change) linmin: converged after 4 iterations. iteration 10: trace = 2.494053119375062 (0.00750551% change) linmin: converged after 4 iterations. iteration 11: trace = 2.494006769338019 (0.00185844% change) large trace change predicted (0.00615564%) linmin: converged after 4 iterations. iteration 12: trace = 2.493853877784837 (0.00613055% change) linmin: converged after 3 iterations. iteration 13: trace = 2.493809312194493 (0.00178703% change) large trace change predicted (0.00364815%) linmin: converged after 4 iterations. iteration 14: trace = 2.493718771889427 (0.00363067% change) linmin: converged after 4 iterations. iteration 15: trace = 2.493653536138433 (0.00261604% change) linmin: converged after 4 iterations. iteration 16: trace = 2.493597422138092 (0.0022503% change) large trace change predicted (0.00494512%) linmin: converged after 4 iterations. iteration 17: trace = 2.493474326430524 (0.00493659% change) linmin: converged after 4 iterations. iteration 18: trace = 2.493424155675116 (0.0020121% change) large trace change predicted (0.00492516%) linmin: converged after 4 iterations. iteration 19: trace = 2.493301749789208 (0.00490927% change) linmin: converged after 4 iterations. iteration 20: trace = 2.4932438532079 (0.00232211% change) large trace change predicted (0.00472088%) linmin: converged after 4 iterations. iteration 21: trace = 2.493126516272597 (0.00470631% change) linmin: converged after 4 iterations. iteration 22: trace = 2.493032139438212 (0.00378555% change) linmin: converged after 4 iterations. iteration 23: trace = 2.492931229724737 (0.00404775% change) linmin: converged after 4 iterations. iteration 24: trace = 2.49278518304044 (0.0058586% change) linmin: converged after 4 iterations. iteration 25: trace = 2.492694559740675 (0.00363549% change) linmin: converged after 17 iterations. iteration 26: trace = 2.492556551715377 (0.00553665% change) linmin: converged after 4 iterations. iteration 27: trace = 2.492504492963388 (0.00208859% change) large trace change predicted (0.00584593%) linmin: converged after 6 iterations. iteration 28: trace = 2.492359048235266 (0.00583545% change) linmin: converged after 4 iterations. iteration 29: trace = 2.492292310143891 (0.00267774% change) linmin: converged after 3 iterations. iteration 30: trace = 2.49220423763659 (0.00353386% change) linmin: converged after 4 iterations. iteration 31: trace = 2.492122038808602 (0.00329829% change) linmin: converged after 3 iterations. iteration 32: trace = 2.492088459826676 (0.00134741% change) large trace change predicted (0.00374958%) linmin: converged after 9 iterations. iteration 33: trace = 2.491995115671979 (0.00374569% change) linmin: converged after 3 iterations. iteration 34: trace = 2.49197302696545 (0.00088639% change) large trace change predicted (0.00384146%) linmin: converged after 6 iterations. iteration 35: trace = 2.491877397292373 (0.00383758% change) linmin: converged after 7 iterations. iteration 36: trace = 2.491799684776144 (0.00311868% change) linmin: converged after 4 iterations. iteration 37: trace = 2.491716618910476 (0.00333362% change) large trace change predicted (0.00753755%) linmin: converged after 6 iterations. iteration 38: trace = 2.491529123150958 (0.00752505% change) linmin: converged after 3 iterations. iteration 39: trace = 2.491464407954583 (0.00259744% change) large trace change predicted (0.00785134%) linmin: converged after 4 iterations. iteration 40: trace = 2.491269210816609 (0.00783494% change) linmin: converged after 3 iterations. iteration 41: trace = 2.491195483039992 (0.00295949% change) linmin: converged after 4 iterations. iteration 42: trace = 2.491085228402836 (0.00442587% change) linmin: converged after 3 iterations. iteration 43: trace = 2.491014733898304 (0.00282991% change) linmin: converged after 4 iterations. iteration 44: trace = 2.49096938109741 (0.00182067% change) large trace change predicted (0.00538733%) linmin: converged after 3 iterations. iteration 45: trace = 2.49083487831414 (0.00539976% change) linmin: converged after 11 iterations. iteration 46: trace = 2.490789473031338 (0.00182291% change) large trace change predicted (0.0100848%) linmin: converged after 3 iterations. iteration 47: trace = 2.490536447013226 (0.010159% change) linmin: converged after 4 iterations. iteration 48: trace = 2.490423729185779 (0.00452595% change) linmin: converged after 3 iterations. iteration 49: trace = 2.490250059019444 (0.00697376% change) linmin: converged after 3 iterations. iteration 50: trace = 2.490020787971507 (0.00920717% change) linmin: converged after 3 iterations. iteration 51: trace = 2.48994903099957 (0.00288182% change) large trace change predicted (0.00946139%) linmin: converged after 3 iterations. iteration 52: trace = 2.489711162739711 (0.00955359% change) linmin: converged after 3 iterations. iteration 53: trace = 2.489658473681335 (0.00211629% change) large trace change predicted (0.00434367%) linmin: converged after 3 iterations. iteration 54: trace = 2.489549877108953 (0.004362% change) linmin: converged after 4 iterations. iteration 55: trace = 2.489470614706369 (0.00318386% change) linmin: converged after 3 iterations. iteration 56: trace = 2.489407058967494 (0.00255301% change) linmin: converged after 3 iterations. iteration 57: trace = 2.48931509135577 (0.00369443% change) linmin: converged after 3 iterations. iteration 58: trace = 2.489272593598083 (0.00170722% change) large trace change predicted (0.0035832%) linmin: converged after 3 iterations. iteration 59: trace = 2.489183254006914 (0.00358905% change) linmin: converged after 3 iterations. iteration 60: trace = 2.489147377124525 (0.00144132% change) large trace change predicted (0.00337204%) linmin: converged after 4 iterations. iteration 61: trace = 2.489063365947722 (0.00337516% change) linmin: converged after 5 iterations. iteration 62: trace = 2.489014190975116 (0.00197566% change) linmin: converged after 4 iterations. iteration 63: trace = 2.488950715482929 (0.00255026% change) linmin: converged after 4 iterations. iteration 64: trace = 2.488865294803781 (0.00343205% change) linmin: converged after 5 iterations. iteration 65: trace = 2.488828943610771 (0.00146056% change) linmin: converged after 3 iterations. iteration 66: trace = 2.488763904884916 (0.00261326% change) linmin: converged after 3 iterations. iteration 67: trace = 2.488735810526342 (0.00112885% change) large trace change predicted (0.00312848%) linmin: converged after 6 iterations. iteration 68: trace = 2.48865800111508 (0.00312651% change) linmin: converged after 3 iterations. iteration 69: trace = 2.488603317682105 (0.00219733% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 2.488574474557392 (0.00115902% change) large trace change predicted (0.00249024%) linmin: converged after 3 iterations. iteration 71: trace = 2.488512534589992 (0.002489% change) linmin: converged after 7 iterations. iteration 72: trace = 2.488484799851445 (0.00111452% change) linmin: converged after 3 iterations. iteration 73: trace = 2.488451506537923 (0.0013379% change) large trace change predicted (0.0031914%) linmin: converged after 5 iterations. iteration 74: trace = 2.488372321747332 (0.00318214% change) linmin: converged after 3 iterations. iteration 75: trace = 2.488356731049004 (0.000626544% change) large trace change predicted (0.00189925%) linmin: converged after 5 iterations. iteration 76: trace = 2.488309524135499 (0.00189713% change) linmin: converged after 4 iterations. iteration 77: trace = 2.488271458079891 (0.00152981% change) linmin: converged after 4 iterations. iteration 78: trace = 2.488258000294219 (0.00054085% change) large trace change predicted (0.00171372%) linmin: converged after 4 iterations. iteration 79: trace = 2.48821544026547 (0.00171045% change) linmin: converged after 4 iterations. iteration 80: trace = 2.488166258686811 (0.0019766% change) linmin: converged after 12 iterations. iteration 81: trace = 2.488145059919184 (0.000851987% change) linmin: converged after 15 iterations. iteration 82: trace = 2.488106089528181 (0.00156625% change) linmin: converged after 4 iterations. iteration 83: trace = 2.488066336337749 (0.00159774% change) linmin: converged after 5 iterations. iteration 84: trace = 2.488048633590177 (0.000711509% change) large trace change predicted (0.00194513%) linmin: converged after 4 iterations. iteration 85: trace = 2.488000386622425 (0.00193917% change) linmin: converged after 5 iterations. iteration 86: trace = 2.487937929549748 (0.00251036% change) linmin: converged after 5 iterations. iteration 87: trace = 2.487919640950813 (0.000735093% change) large trace change predicted (0.00295702%) linmin: converged after 3 iterations. iteration 88: trace = 2.487846115004988 (0.00295536% change) linmin: converged after 4 iterations. iteration 89: trace = 2.487797886704479 (0.00193858% change) linmin: converged after 3 iterations. iteration 90: trace = 2.487776306549805 (0.000867444% change) large trace change predicted (0.00214995%) linmin: converged after 3 iterations. iteration 91: trace = 2.487722836395236 (0.00214934% change) linmin: converged after 3 iterations. iteration 92: trace = 2.487710813896149 (0.000483274% change) large trace change predicted (0.00124375%) linmin: converged after 5 iterations. iteration 93: trace = 2.487679883120304 (0.00124335% change) linmin: converged after 3 iterations. iteration 94: trace = 2.487653043297854 (0.00107892% change) linmin: converged after 3 iterations. iteration 95: trace = 2.487630501282141 (0.00090616% change) linmin: converged after 4 iterations. iteration 96: trace = 2.487599175459664 (0.00125927% change) linmin: converged after 3 iterations. iteration 97: trace = 2.487540228048141 (0.00236968% change) linmin: converged after 12 iterations. iteration 98: trace = 2.487521640120572 (0.000747244% change) linmin: converged after 4 iterations. iteration 99: trace = 2.487493683707828 (0.00112387% change) linmin: converged after 5 iterations. iteration 100: trace = 2.487462269535424 (0.00126289% change) linmin: converged after 3 iterations. iteration 101: trace = 2.48745536423858 (0.000277604% change) large trace change predicted (0.000931403%) linmin: converged after 5 iterations. iteration 102: trace = 2.487432233641114 (0.000929894% change) linmin: converged after 3 iterations. iteration 103: trace = 2.487405032651327 (0.00109354% change) linmin: converged after 3 iterations. iteration 104: trace = 2.487396818139055 (0.000330245% change) large trace change predicted (0.00148261%) linmin: converged after 3 iterations. iteration 105: trace = 2.487359848334163 (0.0014863% change) linmin: converged after 3 iterations. iteration 106: trace = 2.487331078568984 (0.00115665% change) linmin: converged after 5 iterations. iteration 107: trace = 2.487319494981296 (0.000465705% change) large trace change predicted (0.00232136%) linmin: converged after 6 iterations. iteration 108: trace = 2.48726164881472 (0.00232567% change) linmin: converged after 3 iterations. iteration 109: trace = 2.487237092826722 (0.000987275% change) linmin: converged after 3 iterations. iteration 110: trace = 2.487206680585687 (0.00122274% change) linmin: converged after 4 iterations. iteration 111: trace = 2.487173038603066 (0.00135261% change) linmin: converged after 3 iterations. iteration 112: trace = 2.487160558799443 (0.000501768% change) linmin: converged after 3 iterations. iteration 113: trace = 2.487141960392464 (0.000747779% change) linmin: converged after 5 iterations. iteration 114: trace = 2.487111565453936 (0.00122209% change) linmin: converged after 6 iterations. iteration 115: trace = 2.487101729536141 (0.000395476% change) large trace change predicted (0.000795578%) linmin: converged after 3 iterations. iteration 116: trace = 2.487081948065852 (0.000795365% change) linmin: converged after 3 iterations. iteration 117: trace = 2.4870636905194 (0.000734098% change) linmin: converged after 3 iterations. iteration 118: trace = 2.487055266003158 (0.000338734% change) large trace change predicted (0.00104506%) linmin: converged after 3 iterations. iteration 119: trace = 2.487029266684226 (0.00104539% change) linmin: converged after 4 iterations. iteration 120: trace = 2.487007971865747 (0.000856239% change) linmin: converged after 4 iterations. iteration 121: trace = 2.487000144833851 (0.000314717% change) large trace change predicted (0.00098169%) linmin: converged after 5 iterations. iteration 122: trace = 2.486975730154866 (0.000981697% change) linmin: converged after 3 iterations. iteration 123: trace = 2.486952827646625 (0.000920902% change) linmin: converged after 3 iterations. iteration 124: trace = 2.486940045383895 (0.000513974% change) large trace change predicted (0.00230676%) linmin: converged after 4 iterations. iteration 125: trace = 2.486882730702087 (0.00230465% change) linmin: converged after 3 iterations. iteration 126: trace = 2.486843220613449 (0.00158875% change) linmin: converged after 4 iterations. iteration 127: trace = 2.486783792724833 (0.00238972% change) linmin: converged after 4 iterations. iteration 128: trace = 2.486698791892305 (0.00341816% change) linmin: converged after 3 iterations. iteration 129: trace = 2.486661286309805 (0.00150826% change) linmin: converged after 7 iterations. iteration 130: trace = 2.486623172913379 (0.00153273% change) linmin: converged after 3 iterations. iteration 131: trace = 2.486591355088738 (0.00127957% change) linmin: converged after 3 iterations. iteration 132: trace = 2.486581495915449 (0.000396494% change) large trace change predicted (0.000963697%) linmin: converged after 4 iterations. iteration 133: trace = 2.486557524018012 (0.000964055% change) linmin: converged after 3 iterations. iteration 134: trace = 2.486535868448634 (0.000870909% change) linmin: converged after 3 iterations. iteration 135: trace = 2.486525734145124 (0.000407568% change) large trace change predicted (0.00132869%) linmin: converged after 3 iterations. iteration 136: trace = 2.486492672114544 (0.00132966% change) linmin: converged after 3 iterations. iteration 137: trace = 2.4864684568555 (0.000973877% change) linmin: converged after 3 iterations. iteration 138: trace = 2.486461344064414 (0.00028606% change) large trace change predicted (0.000628476%) linmin: converged after 3 iterations. iteration 139: trace = 2.486445718478366 (0.000628429% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.486440316002184 (0.000217277% change) linmin: converged after 3 iterations. iteration 141: trace = 2.486436897949191 (0.000137468% change) large trace change predicted (0.000494266%) linmin: converged after 6 iterations. iteration 142: trace = 2.486424619473493 (0.000493819% change) linmin: converged after 5 iterations. iteration 143: trace = 2.486421621317892 (0.000120581% change) large trace change predicted (0.000520131%) linmin: converged after 15 iterations. iteration 144: trace = 2.486408705250284 (0.000519465% change) linmin: converged after 6 iterations. iteration 145: trace = 2.486391995234417 (0.000672057% change) linmin: converged after 3 iterations. iteration 146: trace = 2.486387492495172 (0.000181095% change) large trace change predicted (0.000450639%) linmin: converged after 3 iterations. iteration 147: trace = 2.486376285763708 (0.000450724% change) linmin: converged after 4 iterations. iteration 148: trace = 2.486363602493589 (0.000510112% change) linmin: converged after 3 iterations. iteration 149: trace = 2.486359943403615 (0.000147166% change) large trace change predicted (0.000895146%) linmin: converged after 5 iterations. iteration 150: trace = 2.486337672880415 (0.000895712% change) linmin: converged after 3 iterations. iteration 151: trace = 2.486322372652038 (0.000615374% change) linmin: converged after 3 iterations. iteration 152: trace = 2.486310286550961 (0.000486105% change) linmin: converged after 4 iterations. iteration 153: trace = 2.486288351519972 (0.000882236% change) linmin: converged after 3 iterations. iteration 154: trace = 2.486270461204038 (0.000719562% change) linmin: converged after 3 iterations. iteration 155: trace = 2.486265078233208 (0.000216508% change) large trace change predicted (0.000473784%) linmin: converged after 3 iterations. iteration 156: trace = 2.486253288137071 (0.00047421% change) linmin: converged after 3 iterations. iteration 157: trace = 2.486244471224024 (0.000354627% change) linmin: converged after 3 iterations. iteration 158: trace = 2.486241791578302 (0.000107779% change) large trace change predicted (0.000397653%) linmin: converged after 3 iterations. iteration 159: trace = 2.486231901543722 (0.000397791% change) linmin: converged after 3 iterations. iteration 160: trace = 2.486229388624313 (0.000101073% change) large trace change predicted (0.000218116%) linmin: converged after 3 iterations. iteration 161: trace = 2.486223965460543 (0.000218128% change) linmin: converged after 3 iterations. iteration 162: trace = 2.486219141454832 (0.00019403% change) linmin: converged after 3 iterations. iteration 163: trace = 2.486216681749386 (9.89336e-05% change) large trace change predicted (0.000284402%) linmin: converged after 6 iterations. iteration 164: trace = 2.486209618362964 (0.000284102% change) linmin: converged after 23 iterations. iteration 165: trace = 2.486198883418821 (0.00043178% change) linmin: converged after 19 iterations. iteration 166: trace = 2.486195868179986 (0.000121279% change) large trace change predicted (0.000255398%) linmin: converged after 4 iterations. iteration 167: trace = 2.486189521272439 (0.000255286% change) linmin: converged after 4 iterations. iteration 168: trace = 2.486181623261373 (0.000317676% change) linmin: converged after 3 iterations. iteration 169: trace = 2.486178527728146 (0.00012451% change) linmin: converged after 4 iterations. iteration 170: trace = 2.486172932683418 (0.000225046% change) linmin: converged after 4 iterations. iteration 171: trace = 2.486164266855635 (0.000348562% change) linmin: converged after 4 iterations. iteration 172: trace = 2.486160649663025 (0.000145493% change) large trace change predicted (0.000303333%) linmin: converged after 3 iterations. iteration 173: trace = 2.486153110623879 (0.000303241% change) linmin: converged after 4 iterations. iteration 174: trace = 2.486145958516302 (0.000287678% change) linmin: converged after 7 iterations. iteration 175: trace = 2.486143253537672 (0.000108802% change) large trace change predicted (0.000275365%) linmin: converged after 3 iterations. iteration 176: trace = 2.486136409821238 (0.000275275% change) linmin: converged after 4 iterations. iteration 177: trace = 2.48613149952664 (0.000197507% change) linmin: converged after 5 iterations. iteration 178: trace = 2.486129092153331 (9.68321e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.48612481206577 (0.000172159% change) linmin: converged after 4 iterations. iteration 180: trace = 2.486122211310087 (0.000104611% change) linmin: converged after 3 iterations. iteration 181: trace = 2.486119066555182 (0.000126492% change) large trace change predicted (0.000341478%) linmin: converged after 4 iterations. iteration 182: trace = 2.486110582934301 (0.00034124% change) linmin: converged after 3 iterations. iteration 183: trace = 2.486105934249012 (0.000186986% change) linmin: converged after 4 iterations. iteration 184: trace = 2.486103648652534 (9.19348e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.486099630498395 (0.000161625% change) linmin: converged after 3 iterations. iteration 186: trace = 2.486095589937971 (0.000162526% change) linmin: converged after 3 iterations. iteration 187: trace = 2.486093695745089 (7.61915e-05% change) large trace change predicted (0.000189711%) linmin: converged after 5 iterations. iteration 188: trace = 2.486088979197969 (0.000189717% change) linmin: converged after 3 iterations. iteration 189: trace = 2.486086845441113 (8.58279e-05% change) large trace change predicted (0.000210963%) linmin: converged after 3 iterations. iteration 190: trace = 2.486081598975246 (0.000211033% change) linmin: converged after 3 iterations. iteration 191: trace = 2.486075445989276 (0.000247498% change) linmin: converged after 3 iterations. iteration 192: trace = 2.486072784963713 (0.000107037% change) linmin: converged after 3 iterations. iteration 193: trace = 2.486067978207759 (0.000193348% change) linmin: converged after 3 iterations. iteration 194: trace = 2.486062669328761 (0.000213545% change) linmin: converged after 3 iterations. iteration 195: trace = 2.486061490394072 (4.74218e-05% change) large trace change predicted (0.000140042%) linmin: converged after 4 iterations. iteration 196: trace = 2.486058007016652 (0.000140116% change) linmin: converged after 3 iterations. iteration 197: trace = 2.486054811393256 (0.000128542% change) linmin: converged after 5 iterations. iteration 198: trace = 2.486053727921057 (4.3582e-05% change) large trace change predicted (9.18039e-05%) linmin: converged after 3 iterations. iteration 199: trace = 2.486051444543701 (9.18475e-05% change) linmin: converged after 4 iterations. iteration 200: trace = 2.48604871018823 (0.000109988% change) linmin: converged after 4 iterations. iteration 201: trace = 2.486047081327871 (6.55201e-05% change) linmin: converged after 3 iterations. iteration 202: trace = 2.486045468864992 (6.48605e-05% change) large trace change predicted (0.000223438%) linmin: converged after 4 iterations. iteration 203: trace = 2.486039910217959 (0.000223594% change) linmin: converged after 2 iterations. iteration 204: trace = 2.486038922013825 (3.97501e-05% change) large trace change predicted (0.000199919%) linmin: converged after 3 iterations. iteration 205: trace = 2.486033950211503 (0.000199989% change) linmin: converged after 3 iterations. iteration 206: trace = 2.486031306054993 (0.00010636% change) linmin: converged after 4 iterations. iteration 207: trace = 2.486030231168287 (4.32371e-05% change) large trace change predicted (8.93124e-05%) linmin: converged after 4 iterations. iteration 208: trace = 2.486028011030611 (8.93046e-05% change) large trace change predicted (0.000184494%) linmin: converged after 6 iterations. iteration 209: trace = 2.486023428236718 (0.000184342% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.48602202168585 (5.65784e-05% change) linmin: converged after 12 iterations. iteration 211: trace = 2.486020018723904 (8.0569e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.486018320754877 (6.83007e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.486017457263136 (3.47339e-05% change) large trace change predicted (7.40508e-05%) linmin: converged after 4 iterations. iteration 214: trace = 2.486015616836127 (7.40312e-05% change) linmin: converged after 10 iterations. iteration 215: trace = 2.486012916941027 (0.000108603% change) linmin: converged after 3 iterations. iteration 216: trace = 2.486012291214537 (2.51699e-05% change) large trace change predicted (8.39124e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.486010206453553 (8.38597e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.486008460770565 (7.02203e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.486007789783964 (2.69905e-05% change) large trace change predicted (8.16819e-05%) linmin: converged after 5 iterations. iteration 220: trace = 2.486005760354276 (8.16341e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.486005045497719 (2.87552e-05% change) large trace change predicted (6.61263e-05%) linmin: converged after 9 iterations. iteration 222: trace = 2.486003402161579 (6.61035e-05% change) linmin: converged after 5 iterations. iteration 223: trace = 2.486001996233311 (5.65538e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.486000042584344 (7.8586e-05% change) linmin: converged after 5 iterations. iteration 225: trace = 2.485999119309783 (3.7139e-05% change) large trace change predicted (0.000140858%) linmin: converged after 10 iterations. iteration 226: trace = 2.485995618704608 (0.000140813% change) linmin: converged after 3 iterations. iteration 227: trace = 2.485994100233929 (6.1081e-05% change) linmin: converged after 3 iterations. iteration 228: trace = 2.485991521445129 (0.000103733% change) linmin: converged after 3 iterations. iteration 229: trace = 2.485988403934094 (0.000125403% change) linmin: converged after 3 iterations. iteration 230: trace = 2.485987503584906 (3.6217e-05% change) large trace change predicted (0.000111695%) linmin: converged after 5 iterations. iteration 231: trace = 2.485984727381403 (0.000111674% change) linmin: converged after 5 iterations. iteration 232: trace = 2.485982326403656 (9.65806e-05% change) linmin: converged after 5 iterations. iteration 233: trace = 2.485981651611549 (2.71439e-05% change) large trace change predicted (6.92219e-05%) linmin: converged after 3 iterations. iteration 234: trace = 2.485979930570006 (6.92299e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.485977905199617 (8.14717e-05% change) linmin: converged after 3 iterations. iteration 236: trace = 2.48597730380663 (2.41914e-05% change) large trace change predicted (8.42799e-05%) linmin: converged after 4 iterations. iteration 237: trace = 2.485975208536899 (8.42836e-05% change) linmin: converged after 4 iterations. iteration 238: trace = 2.485972481099969 (0.000109713% change) linmin: converged after 5 iterations. iteration 239: trace = 2.485971839214122 (2.58203e-05% change) large trace change predicted (5.6214e-05%) linmin: converged after 3 iterations. iteration 240: trace = 2.485970441700708 (5.6216e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.485968844084179 (6.42653e-05% change) linmin: converged after 3 iterations. iteration 242: trace = 2.485968424802206 (1.68659e-05% change) large trace change predicted (6.98542e-05%) linmin: converged after 4 iterations. iteration 243: trace = 2.485966688376817 (6.98491e-05% change) linmin: converged after 4 iterations. iteration 244: trace = 2.485965446971699 (4.99365e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.485964604852616 (3.38749e-05% change) large trace change predicted (0.000103126%) linmin: converged after 3 iterations. iteration 246: trace = 2.485962041276639 (0.000103122% change) linmin: converged after 6 iterations. iteration 247: trace = 2.485960303402692 (6.99075e-05% change) linmin: converged after 5 iterations. iteration 248: trace = 2.485957665169964 (0.000106125% change) linmin: converged after 3 iterations. iteration 249: trace = 2.485954723603623 (0.000118327% change) linmin: converged after 3 iterations. iteration 250: trace = 2.485954009590688 (2.87219e-05% change) linmin: converged after 5 iterations. iteration 251: trace = 2.485952659138304 (5.43233e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 2.485950347235431 (9.29987e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.485949172321636 (4.72622e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.485947577225308 (6.41645e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 2.485945662020343 (7.70413e-05% change) linmin: converged after 3 iterations. iteration 256: trace = 2.485944562755226 (4.42192e-05% change) linmin: converged after 3 iterations. iteration 257: trace = 2.485943623257654 (3.77924e-05% change) linmin: converged after 4 iterations. iteration 258: trace = 2.485942113115575 (6.07473e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.485941692883185 (1.69044e-05% change) large trace change predicted (5.55981e-05%) linmin: converged after 3 iterations. iteration 260: trace = 2.485940310662413 (5.56015e-05% change) linmin: converged after 4 iterations. iteration 261: trace = 2.485938556977435 (7.05442e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.485938117284358 (1.76872e-05% change) large trace change predicted (5.47196e-05%) linmin: converged after 4 iterations. iteration 263: trace = 2.485936757504735 (5.46989e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.485934872111849 (7.58424e-05% change) linmin: converged after 2 iterations. iteration 265: trace = 2.485934342667958 (2.12976e-05% change) large trace change predicted (0.000115978%) linmin: converged after 20 iterations. iteration 266: trace = 2.485931462012558 (0.000115878% change) linmin: converged after 4 iterations. iteration 267: trace = 2.485929664190849 (7.23199e-05% change) linmin: converged after 3 iterations. iteration 268: trace = 2.48592863729641 (4.13083e-05% change) large trace change predicted (9.58579e-05%) linmin: converged after 7 iterations. iteration 269: trace = 2.485926255828979 (9.57979e-05% change) linmin: converged after 3 iterations. iteration 270: trace = 2.485924124492907 (8.57361e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.485923745827829 (1.52324e-05% change) large trace change predicted (7.43766e-05%) linmin: converged after 3 iterations. iteration 272: trace = 2.485921896978573 (7.43728e-05% change) linmin: converged after 5 iterations. iteration 273: trace = 2.485921078711772 (3.2916e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.48592048381861 (2.39305e-05% change) large trace change predicted (7.98036e-05%) linmin: converged after 4 iterations. iteration 275: trace = 2.485918499997581 (7.98023e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.485917726900054 (3.10991e-05% change) linmin: converged after 4 iterations. iteration 277: trace = 2.485916798874416 (3.73313e-05% change) linmin: converged after 3 iterations. iteration 278: trace = 2.485915841890903 (3.84962e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.485915428001314 (1.66494e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.485915156796766 (1.09096e-05% change) large trace change predicted (2.45237e-05%) linmin: converged after 4 iterations. iteration 281: trace = 2.485914547198413 (2.45221e-05% change) linmin: converged after 2 iterations. iteration 282: trace = 2.48591397024841 (2.32088e-05% change) linmin: converged after 3 iterations. iteration 283: trace = 2.485913416994713 (2.22555e-05% change) linmin: converged after 4 iterations. iteration 284: trace = 2.485912346741366 (4.30527e-05% change) linmin: converged after 4 iterations. iteration 285: trace = 2.485911911775135 (1.74972e-05% change) large trace change predicted (3.78617e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.485910970666737 (3.78577e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.485909928737816 (4.19134e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.485909652038214 (1.11307e-05% change) large trace change predicted (3.44923e-05%) linmin: converged after 4 iterations. iteration 289: trace = 2.485908794542906 (3.44942e-05% change) linmin: converged after 3 iterations. iteration 290: trace = 2.485907580723941 (4.8828e-05% change) linmin: converged after 3 iterations. iteration 291: trace = 2.485907230171407 (1.41016e-05% change) large trace change predicted (7.80145e-05%) linmin: converged after 5 iterations. iteration 292: trace = 2.485905288868155 (7.80924e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.485904457413371 (3.34468e-05% change) linmin: converged after 3 iterations. iteration 294: trace = 2.485903618487427 (3.37473e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.485902688182957 (3.74232e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.485901918355574 (3.09677e-05% change) linmin: converged after 3 iterations. iteration 297: trace = 2.485901734629439 (7.39072e-06% change) large trace change predicted (3.39546e-05%) linmin: converged after 3 iterations. iteration 298: trace = 2.485900890495897 (3.39568e-05% change) linmin: converged after 3 iterations. iteration 299: trace = 2.48590041018798 (1.93213e-05% change) linmin: converged after 4 iterations. iteration 300: trace = 2.485900180711757 (9.23111e-06% change) large trace change predicted (2.9496e-05%) linmin: converged after 3 iterations. iteration 301: trace = 2.485899447482988 (2.94955e-05% change) linmin: converged after 3 iterations. iteration 302: trace = 2.485899135824026 (1.25371e-05% change) large trace change predicted (2.62525e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.485898483180081 (2.62538e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.485897748158209 (2.95677e-05% change) linmin: converged after 13 iterations. iteration 305: trace = 2.485897472633001 (1.10835e-05% change) large trace change predicted (2.76783e-05%) linmin: converged after 4 iterations. iteration 306: trace = 2.485896784643212 (2.76757e-05% change) linmin: converged after 3 iterations. iteration 307: trace = 2.485896208114291 (2.3192e-05% change) linmin: converged after 16 iterations. iteration 308: trace = 2.485895611119694 (2.40153e-05% change) linmin: converged after 2 iterations. iteration 309: trace = 2.485895272828215 (1.36084e-05% change) large trace change predicted (2.81279e-05%) linmin: converged after 3 iterations. iteration 310: trace = 2.485894573694849 (2.8124e-05% change) linmin: converged after 3 iterations. iteration 311: trace = 2.485894358226965 (8.66762e-06% change) large trace change predicted (2.39788e-05%) linmin: converged after 5 iterations. iteration 312: trace = 2.485893762301133 (2.39723e-05% change) linmin: converged after 3 iterations. iteration 313: trace = 2.485893047776924 (2.87432e-05% change) linmin: converged after 3 iterations. iteration 314: trace = 2.485892908701802 (5.59457e-06% change) large trace change predicted (2.65519e-05%) linmin: converged after 3 iterations. iteration 315: trace = 2.485892248902879 (2.65417e-05% change) linmin: converged after 3 iterations. iteration 316: trace = 2.485891877518642 (1.49397e-05% change) linmin: converged after 4 iterations. iteration 317: trace = 2.485891750872335 (5.0946e-06% change) large trace change predicted (1.6811e-05%) linmin: converged after 3 iterations. iteration 318: trace = 2.485891333048813 (1.68078e-05% change) linmin: converged after 5 iterations. iteration 319: trace = 2.485890959707071 (1.50184e-05% change) linmin: converged after 19 iterations. iteration 320: trace = 2.485890817568823 (5.7178e-06% change) large trace change predicted (2.65065e-05%) linmin: converged after 16 iterations. iteration 321: trace = 2.485890158826757 (2.64992e-05% change) linmin: converged after 4 iterations. iteration 322: trace = 2.485889705876483 (1.82208e-05% change) linmin: converged after 3 iterations. iteration 323: trace = 2.485889538126151 (6.7481e-06% change) large trace change predicted (1.95807e-05%) linmin: converged after 4 iterations. iteration 324: trace = 2.485889051509746 (1.95751e-05% change) linmin: converged after 2 iterations. iteration 325: trace = 2.485888757339809 (1.18336e-05% change) linmin: converged after 4 iterations. iteration 326: trace = 2.485888545542125 (8.52e-06% change) large trace change predicted (1.97252e-05%) linmin: converged after 7 iterations. iteration 327: trace = 2.485888055232837 (1.97237e-05% change) linmin: converged after 2 iterations. iteration 328: trace = 2.485887788638825 (1.07243e-05% change) linmin: converged after 3 iterations. iteration 329: trace = 2.485887463090222 (1.30959e-05% change) large trace change predicted (2.65074e-05%) linmin: converged after 3 iterations. iteration 330: trace = 2.485886804123782 (2.65083e-05% change) linmin: converged after 5 iterations. iteration 331: trace = 2.485886494136767 (1.24699e-05% change) linmin: converged after 3 iterations. iteration 332: trace = 2.48588596819191 (2.11572e-05% change) linmin: converged after 3 iterations. iteration 333: trace = 2.485885515568653 (1.82077e-05% change) linmin: converged after 2 iterations. iteration 334: trace = 2.485885362111051 (6.17316e-06% change) linmin: converged after 2 iterations. iteration 335: trace = 2.485885210707106 (6.09054e-06% change) linmin: converged after 3 iterations. iteration 336: trace = 2.485884945045744 (1.06868e-05% change) linmin: converged after 4 iterations. iteration 337: trace = 2.485884877394166 (2.72143e-06% change) large trace change predicted (8.92198e-06%) linmin: converged after 4 iterations. iteration 338: trace = 2.485884655577982 (8.92303e-06% change) linmin: converged after 3 iterations. iteration 339: trace = 2.485884475797544 (7.23205e-06% change) linmin: converged after 4 iterations. iteration 340: trace = 2.485884400738471 (3.01941e-06% change) large trace change predicted (1.03345e-05%) linmin: converged after 3 iterations. iteration 341: trace = 2.485884143787008 (1.03364e-05% change) linmin: converged after 3 iterations. iteration 342: trace = 2.485883765246077 (1.52276e-05% change) linmin: converged after 4 iterations. iteration 343: trace = 2.485883671025189 (3.79024e-06% change) large trace change predicted (1.2505e-05%) linmin: converged after 3 iterations. iteration 344: trace = 2.485883360095597 (1.25078e-05% change) linmin: converged after 4 iterations. iteration 345: trace = 2.485883118815805 (9.706e-06% change) linmin: converged after 6 iterations. iteration 346: trace = 2.485883019168665 (4.00852e-06% change) large trace change predicted (1.35496e-05%) linmin: converged after 5 iterations. iteration 347: trace = 2.485882682316431 (1.35506e-05% change) linmin: converged after 3 iterations. iteration 348: trace = 2.485882555980481 (5.08214e-06% change) linmin: converged after 3 iterations. iteration 349: trace = 2.485882306930253 (1.00186e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 350: trace = 2.48588209723502 (8.43545e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.48588200409695 (3.74668e-06% change) large trace change predicted (1.0543e-05%) linmin: converged after 3 iterations. iteration 352: trace = 2.485881742042807 (1.05417e-05% change) linmin: converged after 3 iterations. iteration 353: trace = 2.485881636544489 (4.2439e-06% change) linmin: converged after 4 iterations. iteration 354: trace = 2.485881483251974 (6.16653e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.485881204668219 (1.12066e-05% change) linmin: converged after 6 iterations. iteration 356: trace = 2.485881132200586 (2.91517e-06% change) large trace change predicted (7.88748e-06%) linmin: converged after 4 iterations. iteration 357: trace = 2.485880936172148 (7.88567e-06% change) linmin: converged after 3 iterations. iteration 358: trace = 2.485880777292191 (6.39129e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.485880700031593 (3.10798e-06% change) large trace change predicted (6.38219e-06%) linmin: converged after 14 iterations. iteration 360: trace = 2.485880541401155 (6.38126e-06% change) linmin: converged after 3 iterations. iteration 361: trace = 2.485880354929694 (7.50122e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.485880294930855 (2.41359e-06% change) large trace change predicted (6.20151e-06%) linmin: converged after 6 iterations. iteration 363: trace = 2.485880140784376 (6.20088e-06% change) linmin: converged after 4 iterations. iteration 364: trace = 2.485879979101922 (6.50403e-06% change) linmin: converged after 4 iterations. iteration 365: trace = 2.485879919103026 (2.41359e-06% change) large trace change predicted (1.33255e-05%) linmin: converged after 8 iterations. iteration 366: trace = 2.485879587889342 (1.33238e-05% change) linmin: converged after 7 iterations. iteration 367: trace = 2.485879201432082 (1.55461e-05% change) linmin: converged after 3 iterations. iteration 368: trace = 2.485879067998373 (5.36767e-06% change) large trace change predicted (1.37008e-05%) linmin: converged after 3 iterations. iteration 369: trace = 2.485878727406584 (1.37011e-05% change) linmin: converged after 3 iterations. iteration 370: trace = 2.485878428101167 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 371: trace = 2.485878346726981 (3.27346e-06% change) large trace change predicted (1.08916e-05%) linmin: converged after 2 iterations. iteration 372: trace = 2.485878075971529 (1.08917e-05% change) linmin: converged after 2 iterations. iteration 373: trace = 2.485877928417474 (5.93569e-06% change) linmin: converged after 3 iterations. iteration 374: trace = 2.48587782103891 (4.31954e-06% change) large trace change predicted (8.99719e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.485877597367579 (8.99768e-06% change) linmin: converged after 3 iterations. iteration 376: trace = 2.485877350423996 (9.93386e-06% change) linmin: converged after 4 iterations. iteration 377: trace = 2.485877285297414 (2.61986e-06% change) large trace change predicted (1.09292e-05%) linmin: converged after 3 iterations. iteration 378: trace = 2.485877013583101 (1.09303e-05% change) linmin: converged after 3 iterations. iteration 379: trace = 2.485876883662909 (5.22633e-06% change) linmin: converged after 4 iterations. iteration 380: trace = 2.485876813353013 (2.82837e-06% change) linmin: converged after 2 iterations. iteration 381: trace = 2.48587669382159 (4.80842e-06% change) linmin: converged after 3 iterations. iteration 382: trace = 2.485876488279835 (8.26838e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.485876440512067 (1.92157e-06% change) large trace change predicted (8.09195e-06%) linmin: converged after 3 iterations. iteration 384: trace = 2.485876239372412 (8.0913e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.485876027286559 (8.53163e-06% change) linmin: converged after 4 iterations. iteration 386: trace = 2.485875946859879 (3.23535e-06% change) large trace change predicted (1.41237e-05%) linmin: converged after 4 iterations. iteration 387: trace = 2.485875595742851 (1.41245e-05% change) linmin: converged after 4 iterations. iteration 388: trace = 2.485875514501315 (3.26813e-06% change) large trace change predicted (1.03704e-05%) linmin: converged after 7 iterations. iteration 389: trace = 2.485875256708515 (1.03703e-05% change) linmin: converged after 6 iterations. iteration 390: trace = 2.485875066155807 (7.66542e-06% change) linmin: converged after 3 iterations. iteration 391: trace = 2.485874969091101 (3.90465e-06% change) linmin: converged after 17 iterations. iteration 392: trace = 2.485874801742324 (6.73199e-06% change) linmin: converged after 3 iterations. iteration 393: trace = 2.485874522054159 (1.12511e-05% change) linmin: converged after 3 iterations. iteration 394: trace = 2.485874392273183 (5.22074e-06% change) linmin: converged after 3 iterations. iteration 395: trace = 2.485874272914492 (4.80148e-06% change) linmin: converged after 5 iterations. iteration 396: trace = 2.485874066515826 (8.30286e-06% change) linmin: converged after 3 iterations. iteration 397: trace = 2.485873981502775 (3.41985e-06% change) linmin: converged after 3 iterations. iteration 398: trace = 2.485873847026941 (5.4096e-06% change) linmin: converged after 3 iterations. iteration 399: trace = 2.485873656468925 (7.66564e-06% change) linmin: converged after 3 iterations. iteration 400: trace = 2.485873592123216 (2.58845e-06% change) large trace change predicted (5.24019e-06%) linmin: converged after 4 iterations. iteration 401: trace = 2.485873461876362 (5.23948e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.485873332707443 (5.19612e-06% change) linmin: converged after 3 iterations. iteration 403: trace = 2.485873263874981 (2.76894e-06% change) large trace change predicted (7.17064e-06%) linmin: converged after 3 iterations. iteration 404: trace = 2.485873085637827 (7.17e-06% change) linmin: converged after 3 iterations. iteration 405: trace = 2.485872821346301 (1.06317e-05% change) linmin: converged after 5 iterations. iteration 406: trace = 2.485872729276638 (3.70372e-06% change) large trace change predicted (1.06372e-05%) linmin: converged after 4 iterations. iteration 407: trace = 2.485872464910204 (1.06348e-05% change) linmin: converged after 3 iterations. iteration 408: trace = 2.485872311313276 (6.17879e-06% change) linmin: converged after 14 iterations. iteration 409: trace = 2.485872223936334 (3.51494e-06% change) large trace change predicted (7.78093e-06%) linmin: converged after 5 iterations. iteration 410: trace = 2.485872030531145 (7.78017e-06% change) linmin: converged after 3 iterations. iteration 411: trace = 2.485871884420846 (5.87763e-06% change) linmin: converged after 3 iterations. iteration 412: trace = 2.485871815218446 (2.78383e-06% change) linmin: converged after 4 iterations. iteration 413: trace = 2.485871683821008 (5.28577e-06% change) linmin: converged after 4 iterations. iteration 414: trace = 2.485871494428108 (7.61877e-06% change) linmin: converged after 5 iterations. iteration 415: trace = 2.48587145720753 (1.49728e-06% change) large trace change predicted (6.71818e-06%) linmin: converged after 3 iterations. iteration 416: trace = 2.485871290193783 (6.71852e-06% change) linmin: converged after 2 iterations. iteration 417: trace = 2.485871231414292 (2.36454e-06% change) linmin: converged after 3 iterations. iteration 418: trace = 2.485871190841979 (1.63212e-06% change) large trace change predicted (7.01105e-06%) linmin: converged after 4 iterations. iteration 419: trace = 2.485871016566595 (7.01064e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.485870912572561 (4.1834e-06% change) linmin: converged after 2 iterations. iteration 421: trace = 2.485870880991395 (1.27043e-06% change) large trace change predicted (3.37745e-06%) linmin: converged after 3 iterations. iteration 422: trace = 2.485870797035556 (3.37732e-06% change) linmin: converged after 3 iterations. iteration 423: trace = 2.485870744256358 (2.12317e-06% change) linmin: converged after 7 iterations. iteration 424: trace = 2.485870670290663 (2.97544e-06% change) linmin: converged after 3 iterations. iteration 425: trace = 2.485870544491732 (5.06056e-06% change) linmin: converged after 3 iterations. iteration 426: trace = 2.485870481732443 (2.52464e-06% change) linmin: converged after 4 iterations. iteration 427: trace = 2.485870411175001 (2.83834e-06% change) linmin: converged after 26 iterations. iteration 428: trace = 2.485870290780793 (4.84314e-06% change) linmin: converged after 3 iterations. iteration 429: trace = 2.485870255391174 (1.42363e-06% change) large trace change predicted (4.73544e-06%) linmin: converged after 21 iterations. iteration 430: trace = 2.485870137671351 (4.73556e-06% change) linmin: converged after 15 iterations. iteration 431: trace = 2.485870039418725 (3.95244e-06% change) linmin: converged after 3 iterations. iteration 432: trace = 2.485869986993713 (2.10892e-06% change) large trace change predicted (5.35082e-06%) linmin: converged after 3 iterations. iteration 433: trace = 2.485869853958143 (5.35167e-06% change) linmin: converged after 3 iterations. iteration 434: trace = 2.485869680056128 (6.99562e-06% change) linmin: converged after 9 iterations. iteration 435: trace = 2.485869643684701 (1.46313e-06% change) large trace change predicted (5.63131e-06%) linmin: converged after 5 iterations. iteration 436: trace = 2.485869503665958 (5.63259e-06% change) linmin: converged after 14 iterations. iteration 437: trace = 2.485869439645072 (2.57539e-06% change) linmin: converged after 3 iterations. iteration 438: trace = 2.485869413994621 (1.03185e-06% change) large trace change predicted (3.37021e-06%) linmin: converged after 3 iterations. iteration 439: trace = 2.485869330210942 (3.3704e-06% change) linmin: converged after 12 iterations. iteration 440: trace = 2.48586928059478 (1.99593e-06% change) linmin: converged after 3 iterations. iteration 441: trace = 2.485869233179883 (1.90738e-06% change) linmin: converged after 4 iterations. iteration 442: trace = 2.485869145610005 (3.52271e-06% change) linmin: converged after 3 iterations. iteration 443: trace = 2.485869063473394 (3.30414e-06% change) linmin: converged after 2 iterations. iteration 444: trace = 2.485869041127063 (8.98934e-07% change) large trace change predicted (4.19972e-06%) linmin: converged after 5 iterations. iteration 445: trace = 2.485868936738284 (4.19929e-06% change) linmin: converged after 2 iterations. iteration 446: trace = 2.48586888401891 (2.12076e-06% change) linmin: converged after 4 iterations. iteration 447: trace = 2.485868832915147 (2.05577e-06% change) linmin: converged after 3 iterations. iteration 448: trace = 2.485868747720442 (3.42716e-06% change) linmin: converged after 4 iterations. iteration 449: trace = 2.485868684554225 (2.54101e-06% change) linmin: converged after 2 iterations. iteration 450: trace = 2.485868659687701 (1.00032e-06% change) large trace change predicted (2.96403e-06%) linmin: converged after 4 iterations. iteration 451: trace = 2.485868586011092 (2.96382e-06% change) linmin: converged after 4 iterations. iteration 452: trace = 2.485868490425078 (3.84518e-06% change) linmin: converged after 3 iterations. iteration 453: trace = 2.48586846793009 (9.04915e-07% change) large trace change predicted (2.81081e-06%) linmin: converged after 3 iterations. iteration 454: trace = 2.485868398063671 (2.81054e-06% change) linmin: converged after 7 iterations. iteration 455: trace = 2.485868322227633 (3.05069e-06% change) linmin: converged after 32 iterations. iteration 456: trace = 2.48586830730178 (6.00428e-07% change) large trace change predicted (2.52101e-06%) linmin: converged after 29 iterations. iteration 457: trace = 2.485868244635478 (2.5209e-06% change) linmin: converged after 10 iterations. iteration 458: trace = 2.485868224743199 (8.00215e-07% change) linmin: converged after 2 iterations. iteration 459: trace = 2.485868188256212 (1.46778e-06% change) linmin: converged after 3 iterations. iteration 460: trace = 2.48586815534189 (1.32406e-06% change) linmin: converged after 3 iterations. iteration 461: trace = 2.485868133450664 (8.80627e-07% change) large trace change predicted (1.98458e-06%) linmin: converged after 3 iterations. iteration 462: trace = 2.485868084120775 (1.98441e-06% change) linmin: converged after 4 iterations. iteration 463: trace = 2.485868019497456 (2.59963e-06% change) linmin: converged after 3 iterations. iteration 464: trace = 2.485867996293494 (9.33435e-07% change) linmin: converged after 4 iterations. iteration 465: trace = 2.485867953826549 (1.70833e-06% change) linmin: converged after 3 iterations. iteration 466: trace = 2.485867893073292 (2.44395e-06% change) linmin: converged after 3 iterations. iteration 467: trace = 2.485867876025061 (6.85806e-07% change) large trace change predicted (2.36046e-06%) linmin: converged after 3 iterations. iteration 468: trace = 2.485867817348503 (2.36041e-06% change) linmin: converged after 2 iterations. iteration 469: trace = 2.485867762714372 (2.19779e-06% change) linmin: converged after 5 iterations. iteration 470: trace = 2.485867734917171 (1.11821e-06% change) large trace change predicted (2.39405e-06%) linmin: converged after 2 iterations. iteration 471: trace = 2.485867675403512 (2.39408e-06% change) linmin: converged after 2 iterations. iteration 472: trace = 2.485867613174001 (2.50333e-06% change) linmin: converged after 16 iterations. iteration 473: trace = 2.485867592989133 (8.11985e-07% change) large trace change predicted (2.0842e-06%) linmin: converged after 8 iterations. iteration 474: trace = 2.485867541177512 (2.08425e-06% change) linmin: converged after 3 iterations. iteration 475: trace = 2.485867507563353 (1.35221e-06% change) linmin: converged after 22 iterations. iteration 476: trace = 2.485867498849147 (3.5055e-07% change) large trace change predicted (7.73015e-07%) linmin: converged after 2 iterations. iteration 477: trace = 2.485867479632895 (7.7302e-07% change) linmin: converged after 17 iterations. iteration 478: trace = 2.485867450606877 (1.16764e-06% change) linmin: converged after 32 iterations. iteration 479: trace = 2.485867444141832 (2.60072e-07% change) large trace change predicted (1.05355e-06%) linmin: converged after 4 iterations. iteration 480: trace = 2.485867417950375 (1.05361e-06% change) linmin: converged after 2 iterations. iteration 481: trace = 2.485867396817774 (8.5011e-07% change) linmin: converged after 2 iterations. iteration 482: trace = 2.485867386773368 (4.0406e-07% change) large trace change predicted (1.09553e-06%) linmin: converged after 3 iterations. iteration 483: trace = 2.485867359538926 (1.09557e-06% change) linmin: converged after 2 iterations. iteration 484: trace = 2.48586732478117 (1.39821e-06% change) linmin: converged after 4 iterations. iteration 485: trace = 2.485867311055481 (5.52149e-07% change) large trace change predicted (1.7335e-06%) linmin: converged after 3 iterations. iteration 486: trace = 2.485867267961204 (1.73357e-06% change) linmin: converged after 2 iterations. iteration 487: trace = 2.485867244239801 (9.54251e-07% change) linmin: converged after 2 iterations. iteration 488: trace = 2.485867233828202 (4.18832e-07% change) large trace change predicted (1.25791e-06%) linmin: converged after 5 iterations. iteration 489: trace = 2.48586720255778 (1.25793e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.485867179788646 (9.15943e-07% change) linmin: converged after 3 iterations. iteration 491: trace = 2.485867169784331 (4.02448e-07% change) large trace change predicted (9.8972e-07%) linmin: converged after 3 iterations. iteration 492: trace = 2.485867145181219 (9.89719e-07% change) linmin: converged after 2 iterations. iteration 493: trace = 2.485867122368226 (9.17708e-07% change) linmin: converged after 18 iterations. iteration 494: trace = 2.485867109572829 (5.14726e-07% change) large trace change predicted (1.27129e-06%) linmin: converged after 3 iterations. iteration 495: trace = 2.485867077972008 (1.27122e-06% change) linmin: converged after 4 iterations. iteration 496: trace = 2.485867055912573 (8.87394e-07% change) linmin: converged after 2 iterations. iteration 497: trace = 2.485867044729456 (4.49868e-07% change) linmin: converged after 12 iterations. iteration 498: trace = 2.48586702695478 (7.15029e-07% change) linmin: converged after 8 iterations. iteration 499: trace = 2.485867016233747 (4.31279e-07% change) linmin: converged after 3 iterations. iteration 500: trace = 2.485867004623938 (4.67033e-07% change) large trace change predicted (9.55285e-07%) linmin: converged after 3 iterations. iteration 501: trace = 2.485866980878031 (9.55236e-07% change) linmin: converged after 4 iterations. iteration 502: trace = 2.485866973526107 (2.95749e-07% change) linmin: converged after 3 iterations. iteration 503: trace = 2.485866961229981 (4.94641e-07% change) linmin: converged after 3 iterations. iteration 504: trace = 2.485866939099254 (8.90262e-07% change) linmin: converged after 3 iterations. iteration 505: trace = 2.485866918690563 (8.20989e-07% change) linmin: converged after 4 iterations. iteration 506: trace = 2.485866895872162 (9.17925e-07% change) large trace change predicted (1.9145e-06%) linmin: converged after 4 iterations. iteration 507: trace = 2.485866848281662 (1.91444e-06% change) linmin: converged after 3 iterations. iteration 508: trace = 2.485866830020769 (7.34589e-07% change) linmin: converged after 9 iterations. iteration 509: trace = 2.485866798780411 (1.25672e-06% change) linmin: converged after 4 iterations. iteration 510: trace = 2.485866759679631 (1.57292e-06% change) linmin: converged after 3 iterations. iteration 511: trace = 2.485866751384479 (3.33693e-07% change) large trace change predicted (1.41447e-06%) linmin: converged after 2 iterations. iteration 512: trace = 2.485866716222462 (1.41448e-06% change) linmin: converged after 2 iterations. iteration 513: trace = 2.485866691268892 (1.00382e-06% change) linmin: converged after 3 iterations. iteration 514: trace = 2.485866681071788 (4.10203e-07% change) large trace change predicted (1.17446e-06%) linmin: converged after 2 iterations. iteration 515: trace = 2.485866651874806 (1.17452e-06% change) linmin: converged after 30 iterations. iteration 516: trace = 2.485866629997839 (8.80054e-07% change) linmin: converged after 24 iterations. iteration 517: trace = 2.485866618664308 (4.55919e-07% change) large trace change predicted (1.14796e-06%) linmin: converged after 3 iterations. iteration 518: trace = 2.485866590126886 (1.14799e-06% change) linmin: converged after 3 iterations. iteration 519: trace = 2.485866569538686 (8.2821e-07% change) linmin: converged after 8 iterations. iteration 520: trace = 2.48586655371236 (6.36652e-07% change) linmin: converged after 4 iterations. iteration 521: trace = 2.485866548712139 (2.01146e-07% change) large trace change predicted (9.13106e-07%) linmin: converged after 4 iterations. iteration 522: trace = 2.485866526013558 (9.13105e-07% change) linmin: converged after 2 iterations. iteration 523: trace = 2.485866506401708 (7.88934e-07% change) linmin: converged after 3 iterations. iteration 524: trace = 2.48586649009149 (6.56118e-07% change) large trace change predicted (1.48377e-06%) linmin: converged after 3 iterations. iteration 525: trace = 2.485866453205912 (1.48381e-06% change) linmin: converged after 4 iterations. iteration 526: trace = 2.485866436147058 (6.86234e-07% change) linmin: converged after 2 iterations. iteration 527: trace = 2.485866420919921 (6.12548e-07% change) linmin: converged after 2 iterations. iteration 528: trace = 2.485866390685679 (1.21625e-06% change) linmin: converged after 3 iterations. iteration 529: trace = 2.485866382828613 (3.1607e-07% change) large trace change predicted (9.44287e-07%) linmin: converged after 3 iterations. iteration 530: trace = 2.48586635935478 (9.44292e-07% change) linmin: converged after 20 iterations. iteration 531: trace = 2.485866335741836 (9.49888e-07% change) linmin: converged after 22 iterations. iteration 532: trace = 2.485866323248332 (5.02581e-07% change) large trace change predicted (1.07893e-06%) linmin: converged after 16 iterations. iteration 533: trace = 2.485866296426903 (1.07896e-06% change) linmin: converged after 5 iterations. iteration 534: trace = 2.48586626738511 (1.16828e-06% change) linmin: converged after 6 iterations. iteration 535: trace = 2.485866258972777 (3.38407e-07% change) large trace change predicted (9.12254e-07%) linmin: converged after 2 iterations. iteration 536: trace = 2.485866236295242 (9.12259e-07% change) linmin: converged after 5 iterations. iteration 537: trace = 2.485866212413076 (9.60718e-07% change) linmin: converged after 3 iterations. iteration 538: trace = 2.485866205654591 (2.71876e-07% change) large trace change predicted (7.64061e-07%) linmin: converged after 20 iterations. iteration 539: trace = 2.485866186660834 (7.6407e-07% change) linmin: converged after 4 iterations. iteration 540: trace = 2.485866170809313 (6.37666e-07% change) linmin: converged after 5 iterations. iteration 541: trace = 2.485866165744737 (2.03735e-07% change) large trace change predicted (7.56376e-07%) linmin: converged after 5 iterations. iteration 542: trace = 2.485866146942725 (7.56357e-07% change) linmin: converged after 11 iterations. iteration 543: trace = 2.485866130747774 (6.51481e-07% change) linmin: converged after 4 iterations. iteration 544: trace = 2.485866122032381 (3.50598e-07% change) large trace change predicted (1.51451e-06%) linmin: converged after 11 iterations. iteration 545: trace = 2.485866084388703 (1.51431e-06% change) linmin: converged after 29 iterations. iteration 546: trace = 2.485866075186559 (3.70179e-07% change) large trace change predicted (8.77737e-07%) linmin: converged after 4 iterations. iteration 547: trace = 2.485866053368421 (8.77688e-07% change) linmin: converged after 6 iterations. iteration 548: trace = 2.485866031826706 (8.66568e-07% change) linmin: converged after 4 iterations. iteration 549: trace = 2.485866010483658 (8.58576e-07% change) linmin: converged after 3 iterations. iteration 550: trace = 2.485866005734243 (1.91057e-07% change) large trace change predicted (9.3547e-07%) linmin: converged after 21 iterations. iteration 551: trace = 2.485865982479988 (9.35459e-07% change) linmin: converged after 3 iterations. iteration 552: trace = 2.485865964358965 (7.28962e-07% change) linmin: converged after 11 iterations. iteration 553: trace = 2.485865958564203 (2.33108e-07% change) large trace change predicted (5.43682e-07%) linmin: converged after 3 iterations. iteration 554: trace = 2.485865945048811 (5.43689e-07% change) linmin: converged after 6 iterations. iteration 555: trace = 2.485865926177687 (7.59137e-07% change) linmin: converged after 4 iterations. iteration 556: trace = 2.485865921908739 (1.71729e-07% change) large trace change predicted (3.74282e-07%) linmin: converged after 4 iterations. iteration 557: trace = 2.485865912604631 (3.7428e-07% change) linmin: converged after 7 iterations. iteration 558: trace = 2.485865898763034 (5.56812e-07% change) linmin: converged after 2 iterations. iteration 559: trace = 2.485865890594146 (3.28613e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.485865883198732 (2.97498e-07% change) linmin: converged after 18 iterations. iteration 561: trace = 2.485865871369293 (4.75868e-07% change) linmin: converged after 4 iterations. iteration 562: trace = 2.485865863708871 (3.08159e-07% change) linmin: converged after 2 iterations. iteration 563: trace = 2.485865860684591 (1.21659e-07% change) large trace change predicted (6.55238e-07%) linmin: converged after 14 iterations. iteration 564: trace = 2.485865844397677 (6.55181e-07% change) linmin: converged after 26 iterations. iteration 565: trace = 2.485865835896939 (3.41963e-07% change) linmin: converged after 5 iterations. iteration 566: trace = 2.485865828655967 (2.91286e-07% change) linmin: converged after 3 iterations. iteration 567: trace = 2.485865815810901 (5.16724e-07% change) linmin: converged after 3 iterations. iteration 568: trace = 2.485865807771368 (3.2341e-07% change) linmin: converged after 5 iterations. iteration 569: trace = 2.485865795146291 (5.07874e-07% change) linmin: converged after 2 iterations. iteration 570: trace = 2.485865781367603 (5.54281e-07% change) linmin: converged after 20 iterations. iteration 571: trace = 2.485865772803337 (3.44518e-07% change) linmin: converged after 3 iterations. iteration 572: trace = 2.485865764162654 (3.47592e-07% change) linmin: converged after 4 iterations. iteration 573: trace = 2.485865747759466 (6.59858e-07% change) linmin: converged after 4 iterations. iteration 574: trace = 2.485865742153827 (2.255e-07% change) large trace change predicted (6.79819e-07%) linmin: converged after 3 iterations. iteration 575: trace = 2.485865725253269 (6.79866e-07% change) linmin: converged after 3 iterations. iteration 576: trace = 2.485865711751071 (5.43159e-07% change) linmin: converged after 3 iterations. iteration 577: trace = 2.485865708891211 (1.15045e-07% change) large trace change predicted (3.69306e-07%) linmin: converged after 3 iterations. iteration 578: trace = 2.485865699710651 (3.6931e-07% change) linmin: converged after 11 iterations. iteration 579: trace = 2.485865691388251 (3.34789e-07% change) linmin: converged after 7 iterations. iteration 580: trace = 2.485865683910438 (3.00813e-07% change) linmin: converged after 12 iterations. iteration 581: trace = 2.48586567938243 (1.8215e-07% change) large trace change predicted (4.60106e-07%) linmin: converged after 3 iterations. iteration 582: trace = 2.485865667945014 (4.60098e-07% change) linmin: converged after 3 iterations. iteration 583: trace = 2.485865662952972 (2.00817e-07% change) linmin: converged after 4 iterations. iteration 584: trace = 2.485865656701815 (2.51468e-07% change) large trace change predicted (5.37333e-07%) linmin: converged after 4 iterations. iteration 585: trace = 2.485865643345008 (5.3731e-07% change) linmin: converged after 4 iterations. iteration 586: trace = 2.485865640616766 (1.0975e-07% change) large trace change predicted (4.63027e-07%) linmin: converged after 3 iterations. iteration 587: trace = 2.48586562910696 (4.6301e-07% change) linmin: converged after 7 iterations. iteration 588: trace = 2.485865620579228 (3.43049e-07% change) linmin: converged after 4 iterations. iteration 589: trace = 2.485865610866434 (3.90721e-07% change) linmin: converged after 11 iterations. iteration 590: trace = 2.485865608049879 (1.13303e-07% change) large trace change predicted (4.24282e-07%) linmin: converged after 20 iterations. iteration 591: trace = 2.485865597503016 (4.24273e-07% change) linmin: converged after 14 iterations. iteration 592: trace = 2.485865593504626 (1.60845e-07% change) linmin: converged after 14 iterations. iteration 593: trace = 2.485865587123043 (2.56715e-07% change) linmin: converged after 5 iterations. iteration 594: trace = 2.485865576458851 (4.28993e-07% change) linmin: converged after 4 iterations. iteration 595: trace = 2.485865572939455 (1.41576e-07% change) linmin: converged after 4 iterations. iteration 596: trace = 2.48586556675149 (2.48926e-07% change) linmin: converged after 4 iterations. iteration 597: trace = 2.485865560634619 (2.46066e-07% change) linmin: converged after 19 iterations. iteration 598: trace = 2.485865559082415 (6.24412e-08% change) large trace change predicted (2.19717e-07%) linmin: converged after 3 iterations. iteration 599: trace = 2.485865553620635 (2.19713e-07% change) linmin: converged after 3 iterations. iteration 600: trace = 2.485865549531818 (1.64483e-07% change) linmin: converged after 6 iterations. iteration 601: trace = 2.485865547203728 (9.36531e-08% change) large trace change predicted (2.17335e-07%) linmin: converged after 4 iterations. iteration 602: trace = 2.485865541801099 (2.17334e-07% change) linmin: converged after 3 iterations. iteration 603: trace = 2.485865536131561 (2.28071e-07% change) linmin: converged after 9 iterations. iteration 604: trace = 2.485865532492405 (1.46394e-07% change) large trace change predicted (3.47301e-07%) linmin: converged after 8 iterations. iteration 605: trace = 2.485865523859311 (3.47287e-07% change) linmin: converged after 6 iterations. iteration 606: trace = 2.485865519053076 (1.93343e-07% change) linmin: converged after 8 iterations. iteration 607: trace = 2.485865516999705 (8.26018e-08% change) large trace change predicted (3.24611e-07%) linmin: converged after 4 iterations. iteration 608: trace = 2.485865508930416 (3.24607e-07% change) linmin: converged after 3 iterations. iteration 609: trace = 2.485865503966822 (1.99673e-07% change) linmin: converged after 4 iterations. iteration 610: trace = 2.485865498832388 (2.06545e-07% change) linmin: converged after 4 iterations. iteration 611: trace = 2.485865491854048 (2.80721e-07% change) linmin: converged after 14 iterations. iteration 612: trace = 2.485865482931558 (3.58929e-07% change) linmin: converged after 10 iterations. iteration 613: trace = 2.485865481365619 (6.29937e-08% change) large trace change predicted (2.19712e-07%) linmin: converged after 4 iterations. iteration 614: trace = 2.485865475903803 (2.19715e-07% change) linmin: converged after 4 iterations. iteration 615: trace = 2.485865472071529 (1.54163e-07% change) linmin: converged after 6 iterations. iteration 616: trace = 2.485865471161913 (3.65915e-08% change) large trace change predicted (9.4761e-08%) linmin: converged after 6 iterations. iteration 617: trace = 2.485865468806269 (9.47615e-08% change) linmin: converged after 2 iterations. iteration 618: trace = 2.485865465853961 (1.18764e-07% change) linmin: converged after 27 iterations. iteration 619: trace = 2.485865464892822 (3.86642e-08% change) large trace change predicted (1.09374e-07%) linmin: converged after 2 iterations. iteration 620: trace = 2.485865462173916 (1.09375e-07% change) linmin: converged after 5 iterations. iteration 621: trace = 2.485865459243237 (1.17894e-07% change) linmin: converged after 4 iterations. iteration 622: trace = 2.485865458284646 (3.85617e-08% change) large trace change predicted (1.13672e-07%) linmin: converged after 4 iterations. iteration 623: trace = 2.485865455458881 (1.13673e-07% change) linmin: converged after 12 iterations. iteration 624: trace = 2.485865450855711 (1.85174e-07% change) linmin: converged after 28 iterations. iteration 625: trace = 2.485865449820198 (4.1656e-08% change) large trace change predicted (1.97861e-07%) linmin: converged after 8 iterations. iteration 626: trace = 2.485865444901576 (1.97864e-07% change) linmin: converged after 4 iterations. iteration 627: trace = 2.485865442227376 (1.07576e-07% change) linmin: converged after 3 iterations. iteration 628: trace = 2.48586544082506 (5.64116e-08% change) large trace change predicted (1.3045e-07%) linmin: converged after 4 iterations. iteration 629: trace = 2.485865437582248 (1.3045e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.48586543541829 (8.70505e-08% change) linmin: converged after 6 iterations. iteration 631: trace = 2.485865433787513 (6.5602e-08% change) linmin: converged after 6 iterations. iteration 632: trace = 2.485865430826964 (1.19095e-07% change) linmin: converged after 3 iterations. iteration 633: trace = 2.485865427173128 (1.46984e-07% change) linmin: converged after 22 iterations. iteration 634: trace = 2.485865425780974 (5.60028e-08% change) large trace change predicted (1.63076e-07%) linmin: converged after 12 iterations. iteration 635: trace = 2.485865421727208 (1.63073e-07% change) linmin: converged after 5 iterations. iteration 636: trace = 2.485865420716171 (4.06714e-08% change) linmin: converged after 8 iterations. iteration 637: trace = 2.485865418741218 (7.94473e-08% change) linmin: converged after 4 iterations. iteration 638: trace = 2.485865416308797 (9.78501e-08% change) linmin: converged after 4 iterations. iteration 639: trace = 2.485865415586216 (2.90676e-08% change) large trace change predicted (7.8939e-08%) linmin: converged after 3 iterations. iteration 640: trace = 2.485865413623912 (7.89385e-08% change) linmin: converged after 4 iterations. iteration 641: trace = 2.485865411064103 (1.02975e-07% change) linmin: converged after 3 iterations. iteration 642: trace = 2.485865409666585 (5.62186e-08% change) linmin: converged after 3 iterations. iteration 643: trace = 2.485865408621831 (4.20278e-08% change) large trace change predicted (1.1032e-07%) linmin: converged after 6 iterations. iteration 644: trace = 2.485865405879441 (1.10319e-07% change) linmin: converged after 4 iterations. iteration 645: trace = 2.485865404359473 (6.11444e-08% change) large trace change predicted (1.35969e-07%) linmin: converged after 7 iterations. iteration 646: trace = 2.485865400979491 (1.35968e-07% change) linmin: converged after 17 iterations. iteration 647: trace = 2.48586539529247 (2.28774e-07% change) linmin: converged after 29 iterations. iteration 648: trace = 2.485865393324314 (7.91739e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.485865389599396 (1.49844e-07% change) linmin: converged after 4 iterations. iteration 650: trace = 2.48586538469004 (1.97491e-07% change) linmin: converged after 4 iterations. iteration 651: trace = 2.485865383643857 (4.20853e-08% change) large trace change predicted (1.66559e-07%) linmin: converged after 4 iterations. iteration 652: trace = 2.485865379503407 (1.6656e-07% change) linmin: converged after 3 iterations. iteration 653: trace = 2.485865377013683 (1.00155e-07% change) linmin: converged after 5 iterations. iteration 654: trace = 2.485865375630695 (5.5634e-08% change) large trace change predicted (1.67618e-07%) linmin: converged after 3 iterations. iteration 655: trace = 2.485865371463805 (1.67623e-07% change) linmin: converged after 4 iterations. iteration 656: trace = 2.485865368074782 (1.36332e-07% change) linmin: converged after 4 iterations. iteration 657: trace = 2.485865366747093 (5.34095e-08% change) large trace change predicted (1.17999e-07%) linmin: converged after 3 iterations. iteration 658: trace = 2.485865363813772 (1.18e-07% change) linmin: converged after 4 iterations. iteration 659: trace = 2.485865361439716 (9.55022e-08% change) linmin: converged after 2 iterations. iteration 660: trace = 2.485865359244011 (8.83276e-08% change) linmin: converged after 12 iterations. iteration 661: trace = 2.485865358233724 (4.06413e-08% change) large trace change predicted (1.01237e-07%) linmin: converged after 3 iterations. iteration 662: trace = 2.485865355717102 (1.01237e-07% change) linmin: converged after 4 iterations. iteration 663: trace = 2.48586535300271 (1.09193e-07% change) linmin: converged after 4 iterations. iteration 664: trace = 2.485865351824437 (4.73989e-08% change) large trace change predicted (1.50156e-07%) linmin: converged after 2 iterations. iteration 665: trace = 2.485865348091738 (1.50157e-07% change) linmin: converged after 4 iterations. iteration 666: trace = 2.485865345448826 (1.06318e-07% change) linmin: converged after 11 iterations. iteration 667: trace = 2.485865343746249 (6.84903e-08% change) large trace change predicted (1.49826e-07%) linmin: converged after 4 iterations. iteration 668: trace = 2.485865340021753 (1.49827e-07% change) linmin: converged after 7 iterations. iteration 669: trace = 2.485865339024858 (4.01025e-08% change) large trace change predicted (1.21677e-07%) linmin: converged after 22 iterations. iteration 670: trace = 2.485865336000082 (1.21679e-07% change) linmin: converged after 6 iterations. iteration 671: trace = 2.485865333249115 (1.10664e-07% change) linmin: converged after 3 iterations. iteration 672: trace = 2.485865331497596 (7.04591e-08% change) linmin: converged after 2 iterations. iteration 673: trace = 2.485865328692755 (1.12832e-07% change) linmin: converged after 17 iterations. iteration 674: trace = 2.485865324656489 (1.62369e-07% change) linmin: converged after 7 iterations. iteration 675: trace = 2.485865323681069 (3.92387e-08% change) large trace change predicted (1.06218e-07%) linmin: converged after 4 iterations. iteration 676: trace = 2.48586532104061 (1.06219e-07% change) linmin: converged after 4 iterations. iteration 677: trace = 2.485865318047731 (1.20396e-07% change) linmin: converged after 4 iterations. iteration 678: trace = 2.485865317355628 (2.78415e-08% change) large trace change predicted (1.01426e-07%) linmin: converged after 2 iterations. iteration 679: trace = 2.485865314834305 (1.01426e-07% change) linmin: converged after 3 iterations. iteration 680: trace = 2.485865312919978 (7.70085e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.485865312027291 (3.59105e-08% change) linmin: converged after 4 iterations. iteration 682: trace = 2.485865310276112 (7.04454e-08% change) linmin: converged after 19 iterations. iteration 683: trace = 2.485865307493994 (1.11917e-07% change) linmin: converged after 4 iterations. iteration 684: trace = 2.485865306098545 (5.61353e-08% change) large trace change predicted (1.32098e-07%) linmin: converged after 4 iterations. iteration 685: trace = 2.485865302814865 (1.32094e-07% change) linmin: converged after 13 iterations. iteration 686: trace = 2.485865300026325 (1.12176e-07% change) linmin: converged after 3 iterations. iteration 687: trace = 2.485865299163148 (3.47234e-08% change) large trace change predicted (1.03175e-07%) linmin: converged after 4 iterations. iteration 688: trace = 2.485865296598393 (1.03174e-07% change) linmin: converged after 3 iterations. iteration 689: trace = 2.485865294306469 (9.21982e-08% change) linmin: converged after 5 iterations. iteration 690: trace = 2.485865293381978 (3.71899e-08% change) large trace change predicted (9.65726e-08%) linmin: converged after 13 iterations. iteration 691: trace = 2.485865290981323 (9.65722e-08% change) linmin: converged after 3 iterations. iteration 692: trace = 2.485865289201401 (7.16017e-08% change) linmin: converged after 3 iterations. iteration 693: trace = 2.485865288198151 (4.03582e-08% change) linmin: converged after 4 iterations. iteration 694: trace = 2.485865286439175 (7.07591e-08% change) linmin: converged after 8 iterations. iteration 695: trace = 2.485865283907873 (1.01828e-07% change) linmin: converged after 16 iterations. iteration 696: trace = 2.485865283583839 (1.3035e-08% change) large trace change predicted (5.9495e-08%) linmin: converged after 4 iterations. iteration 697: trace = 2.485865282104879 (5.94948e-08% change) linmin: converged after 4 iterations. iteration 698: trace = 2.485865280604293 (6.03648e-08% change) large trace change predicted (1.33776e-07%) linmin: converged after 4 iterations. iteration 699: trace = 2.485865277278877 (1.33773e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 700: trace = 2.485865274452708 (1.1369e-07% change) linmin: converged after 4 iterations. iteration 701: trace = 2.485865273109587 (5.40303e-08% change) linmin: converged after 2 iterations. iteration 702: trace = 2.485865272512046 (2.40375e-08% change) linmin: converged after 4 iterations. iteration 703: trace = 2.485865271690666 (3.3042e-08% change) linmin: converged after 4 iterations. iteration 704: trace = 2.48586527009937 (6.40137e-08% change) linmin: converged after 6 iterations. iteration 705: trace = 2.485865269650481 (1.80577e-08% change) large trace change predicted (6.21585e-08%) linmin: converged after 7 iterations. iteration 706: trace = 2.485865268105322 (6.21578e-08% change) linmin: converged after 4 iterations. iteration 707: trace = 2.485865266427404 (6.74984e-08% change) linmin: converged after 2 iterations. iteration 708: trace = 2.485865265636122 (3.18312e-08% change) linmin: converged after 16 iterations. iteration 709: trace = 2.485865264471996 (4.68298e-08% change) linmin: converged after 4 iterations. iteration 710: trace = 2.48586526278609 (6.78197e-08% change) linmin: converged after 4 iterations. iteration 711: trace = 2.485865262330762 (1.83167e-08% change) large trace change predicted (7.09122e-08%) linmin: converged after 7 iterations. iteration 712: trace = 2.48586526056796 (7.0913e-08% change) linmin: converged after 4 iterations. iteration 713: trace = 2.485865259129184 (5.78783e-08% change) linmin: converged after 5 iterations. iteration 714: trace = 2.485865258609236 (2.09162e-08% change) large trace change predicted (8.90484e-08%) linmin: converged after 5 iterations. iteration 715: trace = 2.485865256395566 (8.90503e-08% change) linmin: converged after 5 iterations. iteration 716: trace = 2.485865254644665 (7.04342e-08% change) linmin: converged after 18 iterations. iteration 717: trace = 2.485865254231463 (1.66221e-08% change) large trace change predicted (3.49756e-08%) linmin: converged after 6 iterations. iteration 718: trace = 2.485865253362014 (3.49757e-08% change) linmin: converged after 3 iterations. iteration 719: trace = 2.485865252400799 (3.86672e-08% change) linmin: converged after 4 iterations. iteration 720: trace = 2.485865252134373 (1.07176e-08% change) large trace change predicted (4.68321e-08%) linmin: converged after 4 iterations. iteration 721: trace = 2.485865250970197 (4.68319e-08% change) linmin: converged after 4 iterations. iteration 722: trace = 2.485865249725378 (5.00759e-08% change) linmin: converged after 6 iterations. iteration 723: trace = 2.485865249303344 (1.69774e-08% change) large trace change predicted (4.16707e-08%) linmin: converged after 4 iterations. iteration 724: trace = 2.485865248267469 (4.16706e-08% change) linmin: converged after 4 iterations. iteration 725: trace = 2.485865246820299 (5.82159e-08% change) linmin: converged after 4 iterations. iteration 726: trace = 2.48586524644703 (1.50157e-08% change) large trace change predicted (4.78694e-08%) linmin: converged after 9 iterations. iteration 727: trace = 2.485865245257072 (4.78689e-08% change) linmin: converged after 5 iterations. iteration 728: trace = 2.485865244055209 (4.83479e-08% change) linmin: converged after 24 iterations. iteration 729: trace = 2.485865243396975 (2.64791e-08% change) linmin: converged after 4 iterations. iteration 730: trace = 2.485865242756343 (2.5771e-08% change) linmin: converged after 8 iterations. iteration 731: trace = 2.485865241644774 (4.47156e-08% change) linmin: converged after 2 iterations. iteration 732: trace = 2.485865241069395 (2.3146e-08% change) linmin: converged after 4 iterations. iteration 733: trace = 2.485865240248724 (3.30135e-08% change) linmin: converged after 7 iterations. iteration 734: trace = 2.485865239042962 (4.85047e-08% change) linmin: converged after 4 iterations. iteration 735: trace = 2.48586523848481 (2.2453e-08% change) linmin: converged after 3 iterations. iteration 736: trace = 2.485865238100206 (1.54716e-08% change) large trace change predicted (3.4548e-08%) linmin: converged after 3 iterations. iteration 737: trace = 2.485865237241395 (3.45478e-08% change) linmin: converged after 20 iterations. iteration 738: trace = 2.485865236900455 (1.37152e-08% change) linmin: converged after 3 iterations. iteration 739: trace = 2.485865236454114 (1.79552e-08% change) linmin: converged after 4 iterations. iteration 740: trace = 2.485865235980166 (1.90657e-08% change) linmin: converged after 4 iterations. iteration 741: trace = 2.485865235703937 (1.1112e-08% change) large trace change predicted (2.86331e-08%) linmin: converged after 3 iterations. iteration 742: trace = 2.485865234992159 (2.8633e-08% change) linmin: converged after 4 iterations. iteration 743: trace = 2.485865233985277 (4.05043e-08% change) linmin: converged after 3 iterations. iteration 744: trace = 2.485865233754162 (9.29717e-09% change) large trace change predicted (3.0813e-08%) linmin: converged after 7 iterations. iteration 745: trace = 2.485865232988195 (3.08129e-08% change) linmin: converged after 2 iterations. iteration 746: trace = 2.48586523222742 (3.06041e-08% change) linmin: converged after 4 iterations. iteration 747: trace = 2.485865231670393 (2.24078e-08% change) linmin: converged after 2 iterations. iteration 748: trace = 2.485865231406732 (1.06064e-08% change) large trace change predicted (3.46596e-08%) linmin: converged after 16 iterations. iteration 749: trace = 2.485865230545142 (3.46596e-08% change) linmin: converged after 24 iterations. iteration 750: trace = 2.485865229954649 (2.3754e-08% change) linmin: converged after 3 iterations. iteration 751: trace = 2.485865229421019 (2.14666e-08% change) linmin: converged after 4 iterations. iteration 752: trace = 2.485865228599152 (3.30616e-08% change) linmin: converged after 3 iterations. iteration 753: trace = 2.48586522777317 (3.32271e-08% change) linmin: converged after 2 iterations. iteration 754: trace = 2.485865227627385 (5.86455e-09% change) large trace change predicted (2.5362e-08%) linmin: converged after 3 iterations. iteration 755: trace = 2.485865226996919 (2.5362e-08% change) linmin: converged after 4 iterations. iteration 756: trace = 2.485865226777721 (8.81777e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.485865226608296 (6.81555e-09% change) linmin: converged after 2 iterations. iteration 758: trace = 2.4858652262888 (1.28525e-08% change) linmin: converged after 3 iterations. iteration 759: trace = 2.485865226040943 (9.97065e-09% change) linmin: converged after 36 iterations. iteration 760: trace = 2.485865225811314 (9.23738e-09% change) linmin: converged after 7 iterations. iteration 761: trace = 2.485865225440171 (1.49302e-08% change) linmin: converged after 4 iterations. iteration 762: trace = 2.485865225288361 (6.10691e-09% change) linmin: converged after 8 iterations. iteration 763: trace = 2.485865225055666 (9.36071e-09% change) large trace change predicted (2.08393e-08%) linmin: converged after 3 iterations. iteration 764: trace = 2.485865224537629 (2.08393e-08% change) linmin: converged after 4 iterations. iteration 765: trace = 2.485865224428886 (4.37444e-09% change) large trace change predicted (2.18974e-08%) linmin: converged after 2 iterations. iteration 766: trace = 2.485865223884546 (2.18974e-08% change) linmin: converged after 4 iterations. iteration 767: trace = 2.485865223528712 (1.43143e-08% change) linmin: converged after 19 iterations. iteration 768: trace = 2.485865223237374 (1.17197e-08% change) linmin: converged after 3 iterations. iteration 769: trace = 2.485865223118294 (4.79028e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 770: trace = 2.485865223011 (4.31619e-09% change) large trace change predicted (9.04054e-09%) linmin: converged after 3 iterations. iteration 771: trace = 2.485865222786265 (9.04051e-09% change) linmin: converged after 3 iterations. iteration 772: trace = 2.485865222399922 (1.55416e-08% change) linmin: converged after 20 iterations. iteration 773: trace = 2.485865222186273 (8.59454e-09% change) linmin: converged after 6 iterations. iteration 774: trace = 2.485865221898463 (1.15779e-08% change) linmin: converged after 5 iterations. iteration 775: trace = 2.48586522146721 (1.73482e-08% change) linmin: converged after 3 iterations. iteration 776: trace = 2.485865221322491 (5.82165e-09% change) linmin: converged after 4 iterations. iteration 777: trace = 2.485865221071898 (1.00807e-08% change) linmin: converged after 14 iterations. iteration 778: trace = 2.485865220836317 (9.4768e-09% change) linmin: converged after 4 iterations. iteration 779: trace = 2.485865220740158 (3.86823e-09% change) large trace change predicted (1.14534e-08%) linmin: converged after 4 iterations. iteration 780: trace = 2.485865220455443 (1.14534e-08% change) linmin: converged after 3 iterations. iteration 781: trace = 2.485865220145579 (1.2465e-08% change) linmin: converged after 5 iterations. iteration 782: trace = 2.485865220056235 (3.5941e-09% change) large trace change predicted (7.83068e-09%) linmin: converged after 21 iterations. iteration 783: trace = 2.485865219861578 (7.83052e-09% change) linmin: converged after 3 iterations. iteration 784: trace = 2.485865219507575 (1.42406e-08% change) linmin: converged after 4 iterations. iteration 785: trace = 2.485865219385597 (4.90688e-09% change) large trace change predicted (2.33241e-08%) linmin: converged after 6 iterations. iteration 786: trace = 2.485865218805796 (2.33239e-08% change) linmin: converged after 14 iterations. iteration 787: trace = 2.48586521851486 (1.17036e-08% change) linmin: converged after 8 iterations. iteration 788: trace = 2.485865218115399 (1.60693e-08% change) linmin: converged after 5 iterations. iteration 789: trace = 2.485865217583654 (2.13907e-08% change) linmin: converged after 6 iterations. iteration 790: trace = 2.485865217173871 (1.64845e-08% change) linmin: converged after 3 iterations. iteration 791: trace = 2.485865216926728 (9.94194e-09% change) linmin: converged after 3 iterations. iteration 792: trace = 2.485865216527604 (1.60557e-08% change) linmin: converged after 4 iterations. iteration 793: trace = 2.48586521613341 (1.58574e-08% change) linmin: converged after 19 iterations. iteration 794: trace = 2.485865216008527 (5.02371e-09% change) large trace change predicted (2.05309e-08%) linmin: converged after 28 iterations. iteration 795: trace = 2.485865215498157 (2.05309e-08% change) linmin: converged after 3 iterations. iteration 796: trace = 2.485865215057126 (1.77415e-08% change) linmin: converged after 4 iterations. iteration 797: trace = 2.485865214868046 (7.60624e-09% change) linmin: converged after 18 iterations. iteration 798: trace = 2.485865214627248 (9.68667e-09% change) linmin: converged after 3 iterations. iteration 799: trace = 2.48586521436607 (1.05065e-08% change) linmin: converged after 5 iterations. iteration 800: trace = 2.485865214260306 (4.25463e-09% change) large trace change predicted (9.64774e-09%) linmin: converged after 5 iterations. iteration 801: trace = 2.485865214020475 (9.6478e-09% change) linmin: converged after 8 iterations. iteration 802: trace = 2.485865213660384 (1.44855e-08% change) linmin: converged after 18 iterations. iteration 803: trace = 2.485865213293775 (1.47477e-08% change) linmin: converged after 3 iterations. iteration 804: trace = 2.485865213147058 (5.90203e-09% change) large trace change predicted (1.40192e-08%) linmin: converged after 27 iterations. iteration 805: trace = 2.485865212798556 (1.40194e-08% change) linmin: converged after 23 iterations. iteration 806: trace = 2.485865212446051 (1.41803e-08% change) linmin: converged after 4 iterations. iteration 807: trace = 2.48586521225953 (7.50328e-09% change) large trace change predicted (1.82494e-08%) linmin: converged after 12 iterations. iteration 808: trace = 2.485865211805874 (1.82494e-08% change) linmin: converged after 19 iterations. iteration 809: trace = 2.48586521154175 (1.0625e-08% change) linmin: converged after 24 iterations. iteration 810: trace = 2.485865211390417 (6.08773e-09% change) large trace change predicted (1.64098e-08%) linmin: converged after 5 iterations. iteration 811: trace = 2.48586521098249 (1.64099e-08% change) linmin: converged after 4 iterations. iteration 812: trace = 2.485865210631671 (1.41126e-08% change) linmin: converged after 4 iterations. iteration 813: trace = 2.485865210438951 (7.75262e-09% change) large trace change predicted (1.78519e-08%) linmin: converged after 16 iterations. iteration 814: trace = 2.485865209995174 (1.7852e-08% change) linmin: converged after 4 iterations. iteration 815: trace = 2.485865209712896 (1.13553e-08% change) linmin: converged after 4 iterations. iteration 816: trace = 2.485865209574998 (5.54729e-09% change) large trace change predicted (1.42357e-08%) linmin: converged after 6 iterations. iteration 817: trace = 2.485865209221114 (1.42358e-08% change) linmin: converged after 2 iterations. iteration 818: trace = 2.485865208981652 (9.63294e-09% change) linmin: converged after 5 iterations. iteration 819: trace = 2.485865208898662 (3.3385e-09% change) large trace change predicted (1.07403e-08%) linmin: converged after 4 iterations. iteration 820: trace = 2.485865208631673 (1.07403e-08% change) linmin: converged after 7 iterations. iteration 821: trace = 2.485865208468182 (6.57682e-09% change) linmin: converged after 24 iterations. iteration 822: trace = 2.485865208357853 (4.43824e-09% change) large trace change predicted (1.4529e-08%) linmin: converged after 6 iterations. iteration 823: trace = 2.485865207996689 (1.45287e-08% change) linmin: converged after 4 iterations. iteration 824: trace = 2.485865207478519 (2.08446e-08% change) linmin: converged after 14 iterations. iteration 825: trace = 2.485865207342512 (5.47122e-09% change) linmin: converged after 12 iterations. iteration 826: trace = 2.485865207111771 (9.28211e-09% change) linmin: converged after 6 iterations. iteration 827: trace = 2.485865206773928 (1.35906e-08% change) linmin: converged after 28 iterations. iteration 828: trace = 2.485865206645257 (5.1761e-09% change) linmin: converged after 4 iterations. iteration 829: trace = 2.48586520642048 (9.04221e-09% change) linmin: converged after 4 iterations. iteration 830: trace = 2.485865206093515 (1.3153e-08% change) linmin: converged after 9 iterations. iteration 831: trace = 2.485865205921032 (6.93856e-09% change) linmin: converged after 12 iterations. iteration 832: trace = 2.485865205810471 (4.44756e-09% change) large trace change predicted (1.16417e-08%) linmin: converged after 3 iterations. iteration 833: trace = 2.485865205521074 (1.16417e-08% change) linmin: converged after 18 iterations. iteration 834: trace = 2.485865205456227 (2.60864e-09% change) large trace change predicted (9.12047e-09%) linmin: converged after 6 iterations. iteration 835: trace = 2.485865205229504 (9.12049e-09% change) linmin: converged after 12 iterations. iteration 836: trace = 2.485865205086512 (5.75221e-09% change) linmin: converged after 15 iterations. iteration 837: trace = 2.485865205035641 (2.0464e-09% change) large trace change predicted (7.69715e-09%) linmin: converged after 4 iterations. iteration 838: trace = 2.485865204844301 (7.69713e-09% change) large trace change predicted (3.31943e-08%) linmin: converged after 8 iterations. iteration 839: trace = 2.485865204019138 (3.31942e-08% change) resetting CG direction... linmin: converged after 25 iterations. iteration 840: trace = 2.485865203667318 (1.41529e-08% change) linmin: converged after 2 iterations. iteration 841: trace = 2.485865203254224 (1.66177e-08% change) linmin: converged after 26 iterations. iteration 842: trace = 2.485865203122991 (5.27918e-09% change) linmin: converged after 12 iterations. iteration 843: trace = 2.485865203082156 (1.64267e-09% change) large trace change predicted (4.71965e-09%) linmin: converged after 3 iterations. iteration 844: trace = 2.485865202964833 (4.71961e-09% change) linmin: converged after 19 iterations. iteration 845: trace = 2.485865202835416 (5.20615e-09% change) linmin: converged after 4 iterations. iteration 846: trace = 2.485865202757523 (3.13341e-09% change) large trace change predicted (8.64022e-09%) linmin: converged after 4 iterations. iteration 847: trace = 2.485865202542741 (8.64015e-09% change) linmin: converged after 8 iterations. iteration 848: trace = 2.485865202467049 (3.04489e-09% change) linmin: converged after 4 iterations. iteration 849: trace = 2.485865202324093 (5.75073e-09% change) linmin: converged after 4 iterations. iteration 850: trace = 2.485865202136429 (7.54926e-09% change) linmin: converged after 4 iterations. iteration 851: trace = 2.485865202063151 (2.9478e-09% change) linmin: converged after 4 iterations. iteration 852: trace = 2.485865201916832 (5.88602e-09% change) linmin: converged after 36 iterations. iteration 853: trace = 2.485865201719041 (7.95661e-09% change) linmin: converged after 3 iterations. iteration 854: trace = 2.48586520160303 (4.66685e-09% change) linmin: converged after 4 iterations. iteration 855: trace = 2.485865201522344 (3.2458e-09% change) large trace change predicted (9.49741e-09%) linmin: converged after 4 iterations. iteration 856: trace = 2.485865201286249 (9.4975e-09% change) linmin: converged after 25 iterations. iteration 857: trace = 2.485865201174299 (4.50346e-09% change) linmin: converged after 10 iterations. iteration 858: trace = 2.48586520109472 (3.20124e-09% change) linmin: converged after 19 iterations. iteration 859: trace = 2.485865200981267 (4.56392e-09% change) linmin: converged after 4 iterations. iteration 860: trace = 2.485865200916747 (2.59549e-09% change) linmin: converged after 5 iterations. iteration 861: trace = 2.485865200849259 (2.71484e-09% change) linmin: converged after 15 iterations. iteration 862: trace = 2.485865200718574 (5.25715e-09% change) linmin: converged after 3 iterations. iteration 863: trace = 2.485865200638832 (3.2078e-09% change) linmin: converged after 4 iterations. iteration 864: trace = 2.485865200558919 (3.21471e-09% change) linmin: converged after 4 iterations. iteration 865: trace = 2.485865200411697 (5.92234e-09% change) linmin: converged after 4 iterations. iteration 866: trace = 2.48586520028927 (4.92496e-09% change) linmin: converged after 25 iterations. iteration 867: trace = 2.485865200240234 (1.97257e-09% change) large trace change predicted (7.01101e-09%) linmin: converged after 13 iterations. iteration 868: trace = 2.485865200065955 (7.01079e-09% change) linmin: converged after 4 iterations. iteration 869: trace = 2.485865199934836 (5.27459e-09% change) linmin: converged after 16 iterations. iteration 870: trace = 2.485865199890833 (1.77015e-09% change) linmin: converged after 4 iterations. iteration 871: trace = 2.485865199814926 (3.05354e-09% change) linmin: converged after 21 iterations. iteration 872: trace = 2.485865199681697 (5.35944e-09% change) linmin: converged after 4 iterations. iteration 873: trace = 2.485865199636535 (1.81676e-09% change) large trace change predicted (4.18242e-09%) linmin: converged after 4 iterations. iteration 874: trace = 2.485865199532565 (4.18245e-09% change) linmin: converged after 5 iterations. iteration 875: trace = 2.485865199443655 (3.57663e-09% change) linmin: converged after 10 iterations. iteration 876: trace = 2.485865199402514 (1.65499e-09% change) large trace change predicted (3.5557e-09%) linmin: converged after 3 iterations. iteration 877: trace = 2.485865199314126 (3.55562e-09% change) linmin: converged after 3 iterations. iteration 878: trace = 2.485865199229332 (3.41104e-09% change) linmin: converged after 21 iterations. iteration 879: trace = 2.485865199200734 (1.15044e-09% change) linmin: converged after 9 iterations. iteration 880: trace = 2.485865199156711 (1.77092e-09% change) linmin: converged after 16 iterations. iteration 881: trace = 2.48586519909115 (2.63736e-09% change) linmin: converged after 5 iterations. iteration 882: trace = 2.48586519906895 (8.9305e-10% change) large trace change predicted (3.83822e-09%) linmin: converged after 3 iterations. iteration 883: trace = 2.48586519897354 (3.83808e-09% change) linmin: converged after 4 iterations. iteration 884: trace = 2.485865198901119 (2.91332e-09% change) linmin: converged after 3 iterations. iteration 885: trace = 2.485865198861212 (1.60535e-09% change) large trace change predicted (3.68247e-09%) linmin: converged after 6 iterations. iteration 886: trace = 2.485865198769671 (3.68246e-09% change) linmin: converged after 4 iterations. iteration 887: trace = 2.485865198706022 (2.56044e-09% change) linmin: converged after 2 iterations. iteration 888: trace = 2.485865198656273 (2.00128e-09% change) linmin: converged after 2 iterations. iteration 889: trace = 2.485865198614059 (1.69817e-09% change) large trace change predicted (3.805e-09%) linmin: converged after 7 iterations. iteration 890: trace = 2.485865198519475 (3.80487e-09% change) linmin: converged after 6 iterations. iteration 891: trace = 2.485865198489881 (1.19051e-09% change) large trace change predicted (3.10238e-09%) linmin: converged after 21 iterations. iteration 892: trace = 2.48586519841276 (3.10236e-09% change) linmin: converged after 4 iterations. iteration 893: trace = 2.485865198303793 (4.38345e-09% change) linmin: converged after 12 iterations. iteration 894: trace = 2.485865198269464 (1.381e-09% change) large trace change predicted (2.81361e-09%) linmin: converged after 8 iterations. iteration 895: trace = 2.485865198199524 (2.81349e-09% change) linmin: converged after 2 iterations. iteration 896: trace = 2.485865198136266 (2.5447e-09% change) linmin: converged after 8 iterations. iteration 897: trace = 2.485865198118605 (7.10474e-10% change) linmin: converged after 4 iterations. iteration 898: trace = 2.485865198095173 (9.42588e-10% change) linmin: converged after 2 iterations. iteration 899: trace = 2.485865198049976 (1.81818e-09% change) linmin: converged after 4 iterations. iteration 900: trace = 2.485865198011751 (1.53768e-09% change) linmin: converged after 4 iterations. iteration 901: trace = 2.485865197997444 (5.75525e-10% change) large trace change predicted (1.29855e-09%) linmin: converged after 6 iterations. iteration 902: trace = 2.485865197965164 (1.29854e-09% change) linmin: converged after 4 iterations. iteration 903: trace = 2.485865197929426 (1.43765e-09% change) linmin: converged after 5 iterations. iteration 904: trace = 2.485865197915947 (5.42226e-10% change) large trace change predicted (2.17089e-09%) linmin: converged after 3 iterations. iteration 905: trace = 2.485865197861982 (2.17087e-09% change) linmin: converged after 3 iterations. iteration 906: trace = 2.485865197821792 (1.61676e-09% change) linmin: converged after 4 iterations. iteration 907: trace = 2.485865197805183 (6.68135e-10% change) large trace change predicted (1.59801e-09%) linmin: converged after 2 iterations. iteration 908: trace = 2.485865197765459 (1.598e-09% change) linmin: converged after 6 iterations. iteration 909: trace = 2.485865197749646 (6.36086e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 910: trace = 2.485865197740856 (3.53611e-10% change) large trace change predicted (1.7187e-09%) linmin: converged after 10 iterations. iteration 911: trace = 2.485865197698129 (1.71879e-09% change) linmin: converged after 9 iterations. iteration 912: trace = 2.48586519768293 (6.11415e-10% change) large trace change predicted (1.2979e-09%) linmin: converged after 6 iterations. iteration 913: trace = 2.485865197650669 (1.29781e-09% change) linmin: converged after 6 iterations. iteration 914: trace = 2.485865197605567 (1.81433e-09% change) linmin: converged after 4 iterations. iteration 915: trace = 2.485865197587486 (7.27356e-10% change) linmin: converged after 6 iterations. iteration 916: trace = 2.485865197563741 (9.55201e-10% change) linmin: converged after 9 iterations. iteration 917: trace = 2.48586519753317 (1.22978e-09% change) linmin: converged after 12 iterations. iteration 918: trace = 2.485865197523846 (3.75102e-10% change) large trace change predicted (1.24119e-09%) linmin: converged after 3 iterations. iteration 919: trace = 2.485865197492994 (1.24109e-09% change) linmin: converged after 4 iterations. iteration 920: trace = 2.485865197465914 (1.08936e-09% change) linmin: converged after 13 iterations. iteration 921: trace = 2.48586519745559 (4.15316e-10% change) large trace change predicted (1.615e-09%) linmin: converged after 12 iterations. iteration 922: trace = 2.48586519741544 (1.6151e-09% change) linmin: converged after 8 iterations. iteration 923: trace = 2.485865197376865 (1.55181e-09% change) linmin: converged after 2 iterations. iteration 924: trace = 2.485865197352932 (9.62758e-10% change) linmin: converged after 3 iterations. iteration 925: trace = 2.485865197324163 (1.1573e-09% change) large trace change predicted (2.85902e-09%) linmin: converged after 4 iterations. iteration 926: trace = 2.48586519725309 (2.85906e-09% change) linmin: converged after 5 iterations. iteration 927: trace = 2.48586519721596 (1.49364e-09% change) linmin: converged after 2 iterations. iteration 928: trace = 2.485865197160825 (2.21798e-09% change) linmin: converged after 10 iterations. iteration 929: trace = 2.48586519711066 (2.01798e-09% change) linmin: converged after 10 iterations. iteration 930: trace = 2.485865197080857 (1.19893e-09% change) linmin: converged after 4 iterations. iteration 931: trace = 2.485865197051823 (1.16793e-09% change) linmin: converged after 6 iterations. iteration 932: trace = 2.485865197001735 (2.01491e-09% change) linmin: converged after 2 iterations. iteration 933: trace = 2.485865196989136 (5.06854e-10% change) large trace change predicted (1.47688e-09%) linmin: converged after 2 iterations. iteration 934: trace = 2.485865196952425 (1.47679e-09% change) linmin: converged after 4 iterations. iteration 935: trace = 2.485865196902827 (1.99517e-09% change) linmin: converged after 7 iterations. iteration 936: trace = 2.485865196851753 (2.05459e-09% change) linmin: converged after 8 iterations. iteration 937: trace = 2.48586519684065 (4.4665e-10% change) large trace change predicted (1.59611e-09%) linmin: converged after 5 iterations. iteration 938: trace = 2.485865196800973 (1.59611e-09% change) linmin: converged after 6 iterations. iteration 939: trace = 2.485865196776445 (9.86678e-10% change) linmin: converged after 4 iterations. iteration 940: trace = 2.485865196763301 (5.28756e-10% change) large trace change predicted (1.395e-09%) linmin: converged after 21 iterations. iteration 941: trace = 2.485865196728622 (1.39504e-09% change) linmin: converged after 5 iterations. iteration 942: trace = 2.485865196692836 (1.4396e-09% change) linmin: converged after 9 iterations. iteration 943: trace = 2.485865196678822 (5.63734e-10% change) large trace change predicted (1.92272e-09%) linmin: converged after 6 iterations. iteration 944: trace = 2.485865196631027 (1.92266e-09% change) linmin: converged after 3 iterations. iteration 945: trace = 2.48586519659087 (1.61544e-09% change) linmin: converged after 15 iterations. iteration 946: trace = 2.485865196573469 (7.00005e-10% change) linmin: converged after 5 iterations. iteration 947: trace = 2.485865196541856 (1.27171e-09% change) linmin: converged after 4 iterations. iteration 948: trace = 2.485865196492666 (1.97879e-09% change) linmin: converged after 5 iterations. iteration 949: trace = 2.485865196483128 (3.8366e-10% change) large trace change predicted (2.18476e-09%) linmin: converged after 15 iterations. iteration 950: trace = 2.485865196428817 (2.18482e-09% change) linmin: converged after 11 iterations. iteration 951: trace = 2.485865196387631 (1.65678e-09% change) linmin: converged after 19 iterations. iteration 952: trace = 2.485865196357544 (1.21036e-09% change) linmin: converged after 16 iterations. iteration 953: trace = 2.485865196334749 (9.16971e-10% change) large trace change predicted (2.17164e-09%) linmin: converged after 22 iterations. iteration 954: trace = 2.485865196280763 (2.17172e-09% change) linmin: converged after 13 iterations. iteration 955: trace = 2.485865196250781 (1.20607e-09% change) linmin: converged after 18 iterations. iteration 956: trace = 2.485865196239367 (4.59173e-10% change) large trace change predicted (1.57246e-09%) linmin: converged after 22 iterations. iteration 957: trace = 2.485865196200279 (1.5724e-09% change) linmin: converged after 15 iterations. iteration 958: trace = 2.485865196180975 (7.76537e-10% change) linmin: converged after 5 iterations. iteration 959: trace = 2.485865196166794 (5.70487e-10% change) large trace change predicted (1.32415e-09%) linmin: converged after 5 iterations. iteration 960: trace = 2.48586519613388 (1.32403e-09% change) linmin: converged after 10 iterations. iteration 961: trace = 2.485865196123907 (4.01203e-10% change) large trace change predicted (1.03782e-09%) linmin: converged after 9 iterations. iteration 962: trace = 2.485865196098107 (1.03786e-09% change) linmin: converged after 4 iterations. iteration 963: trace = 2.485865196065699 (1.3037e-09% change) linmin: converged after 4 iterations. iteration 964: trace = 2.485865196026463 (1.57834e-09% change) linmin: converged after 4 iterations. iteration 965: trace = 2.485865196003387 (9.28297e-10% change) linmin: converged after 10 iterations. iteration 966: trace = 2.485865195962528 (1.64367e-09% change) linmin: converged after 18 iterations. iteration 967: trace = 2.48586519593037 (1.29363e-09% change) linmin: converged after 16 iterations. iteration 968: trace = 2.485865195908953 (8.61537e-10% change) linmin: converged after 13 iterations. iteration 969: trace = 2.485865195894268 (5.90746e-10% change) large trace change predicted (1.52047e-09%) linmin: converged after 11 iterations. iteration 970: trace = 2.485865195856473 (1.5204e-09% change) linmin: converged after 11 iterations. iteration 971: trace = 2.485865195837264 (7.7275e-10% change) linmin: converged after 3 iterations. iteration 972: trace = 2.485865195826727 (4.23855e-10% change) large trace change predicted (1.22732e-09%) linmin: converged after 27 iterations. iteration 973: trace = 2.485865195796214 (1.22746e-09% change) linmin: converged after 10 iterations. iteration 974: trace = 2.485865195786945 (3.72869e-10% change) large trace change predicted (8.918e-10%) linmin: converged after 24 iterations. iteration 975: trace = 2.485865195764775 (8.91835e-10% change) linmin: converged after 9 iterations. iteration 976: trace = 2.485865195744029 (8.34561e-10% change) linmin: converged after 16 iterations. iteration 977: trace = 2.485865195735534 (3.41749e-10% change) large trace change predicted (1.63922e-09%) linmin: converged after 2 iterations. iteration 978: trace = 2.485865195694783 (1.63931e-09% change) large trace change predicted (8.61993e-09%) linmin: converged after 3 iterations. iteration 979: trace = 2.485865195480502 (8.62e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 980: trace = 2.485865195380866 (4.0081e-09% change) linmin: converged after 3 iterations. iteration 981: trace = 2.485865195310908 (2.81422e-09% change) linmin: converged after 4 iterations. iteration 982: trace = 2.485865195298332 (5.05889e-10% change) linmin: converged after 4 iterations. iteration 983: trace = 2.485865195284529 (5.55285e-10% change) linmin: converged after 6 iterations. iteration 984: trace = 2.485865195271472 (5.25218e-10% change) linmin: converged after 14 iterations. iteration 985: trace = 2.485865195264631 (2.75222e-10% change) linmin: converged after 6 iterations. iteration 986: trace = 2.485865195255348 (3.73405e-10% change) linmin: converged after 7 iterations. iteration 987: trace = 2.485865195237387 (7.22533e-10% change) linmin: converged after 3 iterations. iteration 988: trace = 2.485865195233441 (1.58727e-10% change) large trace change predicted (5.35532e-10%) linmin: converged after 15 iterations. iteration 989: trace = 2.485865195220129 (5.35526e-10% change) linmin: converged after 15 iterations. iteration 990: trace = 2.485865195207084 (5.24754e-10% change) linmin: converged after 10 iterations. iteration 991: trace = 2.485865195202752 (1.74269e-10% change) large trace change predicted (6.40452e-10%) linmin: converged after 15 iterations. iteration 992: trace = 2.485865195186831 (6.40463e-10% change) linmin: converged after 15 iterations. iteration 993: trace = 2.485865195173564 (5.33722e-10% change) linmin: converged after 6 iterations. iteration 994: trace = 2.485865195164523 (3.63687e-10% change) linmin: converged after 10 iterations. iteration 995: trace = 2.485865195155359 (3.68635e-10% change) linmin: converged after 22 iterations. iteration 996: trace = 2.485865195137432 (7.21139e-10% change) linmin: converged after 10 iterations. iteration 997: trace = 2.485865195133312 (1.65765e-10% change) large trace change predicted (5.98067e-10%) linmin: converged after 21 iterations. iteration 998: trace = 2.485865195118446 (5.97999e-10% change) linmin: converged after 12 iterations. iteration 999: trace = 2.485865195107226 (4.51348e-10% change) linmin: converged after 3 iterations. iteration 1000: trace = 2.485865195103003 (1.69892e-10% change) large trace change predicted (3.59476e-10%) linmin: converged after 16 iterations. iteration 1001: trace = 2.485865195094067 (3.59489e-10% change) linmin: converged after 3 iterations. iteration 1002: trace = 2.485865195084453 (3.86714e-10% change) linmin: converged after 4 iterations. iteration 1003: trace = 2.485865195079111 (2.14911e-10% change) linmin: converged after 5 iterations. iteration 1004: trace = 2.485865195070572 (3.435e-10% change) linmin: converged after 4 iterations. iteration 1005: trace = 2.485865195059299 (4.53474e-10% change) linmin: converged after 4 iterations. iteration 1006: trace = 2.485865195048942 (4.16638e-10% change) linmin: converged after 9 iterations. iteration 1007: trace = 2.48586519504509 (1.54975e-10% change) large trace change predicted (5.72838e-10%) linmin: converged after 4 iterations. iteration 1008: trace = 2.485865195030848 (5.72899e-10% change) linmin: converged after 3 iterations. iteration 1009: trace = 2.485865195025054 (2.33097e-10% change) linmin: converged after 5 iterations. iteration 1010: trace = 2.485865195018233 (2.744e-10% change) linmin: converged after 8 iterations. iteration 1011: trace = 2.485865195008758 (3.81141e-10% change) linmin: converged after 4 iterations. iteration 1012: trace = 2.485865194997796 (4.40987e-10% change) linmin: converged after 4 iterations. iteration 1013: trace = 2.485865194994954 (1.14333e-10% change) large trace change predicted (4.19174e-10%) linmin: converged after 7 iterations. iteration 1014: trace = 2.485865194984537 (4.19049e-10% change) linmin: converged after 6 iterations. iteration 1015: trace = 2.485865194977043 (3.01429e-10% change) linmin: converged after 4 iterations. iteration 1016: trace = 2.485865194971785 (2.11534e-10% change) linmin: converged after 3 iterations. iteration 1017: trace = 2.485865194964899 (2.77008e-10% change) linmin: converged after 4 iterations. iteration 1018: trace = 2.485865194956525 (3.36854e-10% change) linmin: converged after 6 iterations. iteration 1019: trace = 2.485865194954441 (8.38206e-11% change) Finished solving for bands 1 to 10 after 1019 iterations. tmfreqs:, 5, 0.5, 0.166667, 0, 0.527046, 0.210673, 0.351103, 0.364915, 0.453355, 0.500502, 0.507018, 0.510125, 0.616821, 0.642478, 0.646894 elapsed time for k point: 22.95714807510376 solve_kpoint (0.5,0.333333,0): Solving for bands 1 to 10... linmin: converged after 6 iterations. iteration 1: trace = 2.624860657444398 (2.69642% change) linmin: converged after 4 iterations. iteration 2: trace = 2.610953324994328 (0.531239% change) linmin: converged after 4 iterations. iteration 3: trace = 2.601889621169397 (0.347745% change) linmin: converged after 4 iterations. iteration 4: trace = 2.600356646247478 (0.0589351% change) large trace change predicted (0.133101%) linmin: converged after 4 iterations. iteration 5: trace = 2.596948849867374 (0.131137% change) linmin: converged after 4 iterations. iteration 6: trace = 2.596372064805613 (0.0222126% change) linmin: converged after 3 iterations. iteration 7: trace = 2.595542927897237 (0.0319395% change) linmin: converged after 4 iterations. iteration 8: trace = 2.595152374510337 (0.0150482% change) linmin: converged after 4 iterations. iteration 9: trace = 2.594847404885622 (0.0117522% change) linmin: converged after 4 iterations. iteration 10: trace = 2.594454447741832 (0.0151449% change) linmin: converged after 4 iterations. iteration 11: trace = 2.594326308669367 (0.00493908% change) large trace change predicted (0.0216469%) linmin: converged after 4 iterations. iteration 12: trace = 2.593777335123011 (0.0211628% change) linmin: converged after 4 iterations. iteration 13: trace = 2.593512013071509 (0.0102297% change) linmin: converged after 4 iterations. iteration 14: trace = 2.593177865792837 (0.0128848% change) linmin: converged after 4 iterations. iteration 15: trace = 2.592759591436514 (0.0161311% change) linmin: converged after 4 iterations. iteration 16: trace = 2.592616495656834 (0.00551921% change) large trace change predicted (0.023475%) linmin: converged after 8 iterations. iteration 17: trace = 2.592031022028394 (0.0225849% change) linmin: converged after 4 iterations. iteration 18: trace = 2.59183881548556 (0.00741556% change) linmin: converged after 4 iterations. iteration 19: trace = 2.591510395488983 (0.0126721% change) linmin: converged after 5 iterations. iteration 20: trace = 2.591143472008585 (0.0141597% change) linmin: converged after 4 iterations. iteration 21: trace = 2.591058362290834 (0.00328469% change) large trace change predicted (0.0106647%) linmin: converged after 4 iterations. iteration 22: trace = 2.590787445825455 (0.0104564% change) linmin: converged after 4 iterations. iteration 23: trace = 2.590682179684191 (0.00406318% change) linmin: converged after 4 iterations. iteration 24: trace = 2.590536674665397 (0.00561663% change) linmin: converged after 4 iterations. iteration 25: trace = 2.590316049918632 (0.00851693% change) linmin: converged after 4 iterations. iteration 26: trace = 2.590262712828229 (0.00205912% change) large trace change predicted (0.00488962%) linmin: converged after 4 iterations. iteration 27: trace = 2.590136056658688 (0.00488982% change) linmin: converged after 3 iterations. iteration 28: trace = 2.590064081920008 (0.00277884% change) linmin: converged after 3 iterations. iteration 29: trace = 2.589966977982653 (0.00374916% change) linmin: converged after 3 iterations. iteration 30: trace = 2.589846952045266 (0.00463437% change) linmin: converged after 3 iterations. iteration 31: trace = 2.589779713799327 (0.00259626% change) linmin: converged after 3 iterations. iteration 32: trace = 2.589656148768881 (0.00477137% change) linmin: converged after 3 iterations. iteration 33: trace = 2.589592222492429 (0.00246855% change) large trace change predicted (0.00587392%) linmin: converged after 3 iterations. iteration 34: trace = 2.58943868885607 (0.00592905% change) linmin: converged after 3 iterations. iteration 35: trace = 2.589299359937044 (0.00538081% change) linmin: converged after 3 iterations. iteration 36: trace = 2.589151546670612 (0.00570878% change) linmin: converged after 4 iterations. iteration 37: trace = 2.588877287495618 (0.0105932% change) linmin: converged after 3 iterations. iteration 38: trace = 2.588758826838513 (0.00457586% change) large trace change predicted (0.0103829%) linmin: converged after 3 iterations. iteration 39: trace = 2.588487137598281 (0.0104955% change) linmin: converged after 3 iterations. iteration 40: trace = 2.588238477463922 (0.00960685% change) linmin: converged after 3 iterations. iteration 41: trace = 2.588129337514486 (0.00421685% change) large trace change predicted (0.00966144%) linmin: converged after 3 iterations. iteration 42: trace = 2.587877763590856 (0.00972077% change) linmin: converged after 3 iterations. iteration 43: trace = 2.587755089809354 (0.00474044% change) linmin: converged after 3 iterations. iteration 44: trace = 2.587559763088374 (0.0075484% change) linmin: converged after 3 iterations. iteration 45: trace = 2.587201412270447 (0.0138499% change) linmin: converged after 3 iterations. iteration 46: trace = 2.587078625716444 (0.00474603% change) large trace change predicted (0.0134465%) linmin: converged after 3 iterations. iteration 47: trace = 2.586730779580112 (0.0134464% change) linmin: converged after 3 iterations. iteration 48: trace = 2.586416677216178 (0.0121436% change) linmin: converged after 4 iterations. iteration 49: trace = 2.586172564541082 (0.0094387% change) linmin: converged after 4 iterations. iteration 50: trace = 2.585801897293217 (0.0143337% change) linmin: converged after 3 iterations. iteration 51: trace = 2.585704546876046 (0.00376488% change) large trace change predicted (0.00796064%) linmin: converged after 4 iterations. iteration 52: trace = 2.585499754810095 (0.00792048% change) linmin: converged after 4 iterations. iteration 53: trace = 2.585309102943152 (0.00737416% change) linmin: converged after 4 iterations. iteration 54: trace = 2.585225653328603 (0.00322789% change) large trace change predicted (0.00857994%) linmin: converged after 4 iterations. iteration 55: trace = 2.58500537722372 (0.00852094% change) linmin: converged after 4 iterations. iteration 56: trace = 2.584916458740381 (0.00343984% change) linmin: converged after 4 iterations. iteration 57: trace = 2.584748111302744 (0.0065129% change) linmin: converged after 4 iterations. iteration 58: trace = 2.584504284515206 (0.00943374% change) linmin: converged after 4 iterations. iteration 59: trace = 2.584418705703339 (0.00331128% change) large trace change predicted (0.00842828%) linmin: converged after 4 iterations. iteration 60: trace = 2.584201815731018 (0.00839257% change) linmin: converged after 4 iterations. iteration 61: trace = 2.584099141053601 (0.00397325% change) linmin: converged after 3 iterations. iteration 62: trace = 2.583934358439061 (0.00637699% change) linmin: converged after 4 iterations. iteration 63: trace = 2.583709117768531 (0.00871735% change) linmin: converged after 4 iterations. iteration 64: trace = 2.583615279669869 (0.00363198% change) large trace change predicted (0.00904956%) linmin: converged after 4 iterations. iteration 65: trace = 2.583383030980548 (0.00898969% change) linmin: converged after 4 iterations. iteration 66: trace = 2.583261867954656 (0.0046902% change) linmin: converged after 4 iterations. iteration 67: trace = 2.583112554586477 (0.0057802% change) linmin: converged after 4 iterations. iteration 68: trace = 2.582958454725462 (0.00596584% change) linmin: converged after 6 iterations. iteration 69: trace = 2.582869898246245 (0.00342855% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.582791283889869 (0.00304373% change) linmin: converged after 5 iterations. iteration 71: trace = 2.582689744209822 (0.00393147% change) linmin: converged after 3 iterations. iteration 72: trace = 2.582487344019194 (0.00783711% change) linmin: converged after 4 iterations. iteration 73: trace = 2.582430457572128 (0.0022028% change) large trace change predicted (0.00655094%) linmin: converged after 3 iterations. iteration 74: trace = 2.582260887881654 (0.0065665% change) linmin: converged after 3 iterations. iteration 75: trace = 2.582142980085108 (0.00456617% change) linmin: converged after 3 iterations. iteration 76: trace = 2.582089125320038 (0.00208568% change) linmin: converged after 3 iterations. iteration 77: trace = 2.58198944932938 (0.00386036% change) linmin: converged after 3 iterations. iteration 78: trace = 2.58194945116086 (0.00154913% change) linmin: converged after 3 iterations. iteration 79: trace = 2.581896477308379 (0.00205172% change) linmin: converged after 3 iterations. iteration 80: trace = 2.581814650966695 (0.00316928% change) linmin: converged after 4 iterations. iteration 81: trace = 2.581795133875173 (0.000755948% change) large trace change predicted (0.00246214%) linmin: converged after 3 iterations. iteration 82: trace = 2.581731398762597 (0.00246867% change) linmin: converged after 3 iterations. iteration 83: trace = 2.58167987346304 (0.00199579% change) linmin: converged after 3 iterations. iteration 84: trace = 2.581660431325718 (0.000753084% change) large trace change predicted (0.0022678%) linmin: converged after 3 iterations. iteration 85: trace = 2.581601750028335 (0.00227303% change) linmin: converged after 3 iterations. iteration 86: trace = 2.581512409884697 (0.00346071% change) linmin: converged after 3 iterations. iteration 87: trace = 2.581471275825583 (0.00159342% change) large trace change predicted (0.00460164%) linmin: converged after 3 iterations. iteration 88: trace = 2.581352182994358 (0.00461348% change) linmin: converged after 3 iterations. iteration 89: trace = 2.581296892688224 (0.00214194% change) linmin: converged after 3 iterations. iteration 90: trace = 2.581194672433724 (0.00396011% change) linmin: converged after 3 iterations. iteration 91: trace = 2.581064534121345 (0.00504191% change) linmin: converged after 4 iterations. iteration 92: trace = 2.58103879067474 (0.000997401% change) large trace change predicted (0.00403908%) linmin: converged after 16 iterations. iteration 93: trace = 2.580934670132716 (0.00403414% change) linmin: converged after 5 iterations. iteration 94: trace = 2.580892543647282 (0.00163223% change) linmin: converged after 4 iterations. iteration 95: trace = 2.580844807207762 (0.00184963% change) linmin: converged after 4 iterations. iteration 96: trace = 2.580750264376087 (0.00366332% change) linmin: converged after 3 iterations. iteration 97: trace = 2.580717916046825 (0.00125345% change) large trace change predicted (0.00303787%) linmin: converged after 6 iterations. iteration 98: trace = 2.58063969606942 (0.00303098% change) linmin: converged after 4 iterations. iteration 99: trace = 2.580586921966533 (0.00204502% change) linmin: converged after 4 iterations. iteration 100: trace = 2.580568719281255 (0.000705372% change) large trace change predicted (0.00145523%) linmin: converged after 4 iterations. iteration 101: trace = 2.580531234955007 (0.00145257% change) linmin: converged after 20 iterations. iteration 102: trace = 2.580515873601728 (0.00059528% change) linmin: converged after 4 iterations. iteration 103: trace = 2.580499665390553 (0.000628102% change) linmin: converged after 7 iterations. iteration 104: trace = 2.5804738941213 (0.000998698% change) linmin: converged after 3 iterations. iteration 105: trace = 2.580463088660485 (0.00041874% change) large trace change predicted (0.00115897%) linmin: converged after 4 iterations. iteration 106: trace = 2.580433222769202 (0.00115739% change) linmin: converged after 6 iterations. iteration 107: trace = 2.580404878630592 (0.00109843% change) linmin: converged after 3 iterations. iteration 108: trace = 2.580391255549352 (0.000527945% change) large trace change predicted (0.00162418%) linmin: converged after 5 iterations. iteration 109: trace = 2.580349416150665 (0.00162145% change) linmin: converged after 6 iterations. iteration 110: trace = 2.580298851149196 (0.00195964% change) linmin: converged after 4 iterations. iteration 111: trace = 2.580288563859734 (0.000398687% change) large trace change predicted (0.00143959%) linmin: converged after 5 iterations. iteration 112: trace = 2.580251458649525 (0.00143804% change) linmin: converged after 3 iterations. iteration 113: trace = 2.580236913294601 (0.00056372% change) linmin: converged after 4 iterations. iteration 114: trace = 2.58021013568223 (0.0010378% change) linmin: converged after 3 iterations. iteration 115: trace = 2.580157606216286 (0.00203588% change) linmin: converged after 4 iterations. iteration 116: trace = 2.580144732078875 (0.000498968% change) large trace change predicted (0.00229942%) linmin: converged after 3 iterations. iteration 117: trace = 2.580085343526398 (0.00230178% change) linmin: converged after 3 iterations. iteration 118: trace = 2.580043142878056 (0.00163564% change) linmin: converged after 3 iterations. iteration 119: trace = 2.580026198424646 (0.000656753% change) large trace change predicted (0.00241367%) linmin: converged after 3 iterations. iteration 120: trace = 2.579963831871476 (0.00241731% change) linmin: converged after 3 iterations. iteration 121: trace = 2.579916529139641 (0.00183348% change) linmin: converged after 3 iterations. iteration 122: trace = 2.579904068728688 (0.000482978% change) large trace change predicted (0.00145144%) linmin: converged after 3 iterations. iteration 123: trace = 2.579866580502305 (0.0014531% change) linmin: converged after 4 iterations. iteration 124: trace = 2.57984755203891 (0.000737578% change) linmin: converged after 3 iterations. iteration 125: trace = 2.57981631925165 (0.00121065% change) linmin: converged after 4 iterations. iteration 126: trace = 2.579774460755521 (0.00162255% change) linmin: converged after 3 iterations. iteration 127: trace = 2.579757160004375 (0.000670633% change) large trace change predicted (0.00192692%) linmin: converged after 3 iterations. iteration 128: trace = 2.579707451549806 (0.00192688% change) linmin: converged after 4 iterations. iteration 129: trace = 2.579655882173126 (0.00199906% change) linmin: converged after 5 iterations. iteration 130: trace = 2.579638097400106 (0.000689427% change) large trace change predicted (0.00175717%) linmin: converged after 4 iterations. iteration 131: trace = 2.579592848580715 (0.00175409% change) linmin: converged after 4 iterations. iteration 132: trace = 2.579574042794405 (0.000729024% change) linmin: converged after 3 iterations. iteration 133: trace = 2.579568060257632 (0.00023192% change) large trace change predicted (0.00172045%) linmin: converged after 3 iterations. iteration 134: trace = 2.579523651934156 (0.00172156% change) linmin: converged after 3 iterations. iteration 135: trace = 2.579512030876582 (0.000450513% change) linmin: converged after 3 iterations. iteration 136: trace = 2.579493212543738 (0.000729533% change) linmin: converged after 3 iterations. iteration 137: trace = 2.579467290316428 (0.00100494% change) linmin: converged after 4 iterations. iteration 138: trace = 2.57945943003668 (0.000304725% change) large trace change predicted (0.00115311%) linmin: converged after 4 iterations. iteration 139: trace = 2.57942970403997 (0.00115242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.57941531781194 (0.000557731% change) linmin: converged after 4 iterations. iteration 141: trace = 2.579409085611241 (0.000241613% change) large trace change predicted (0.000491984%) linmin: converged after 7 iterations. iteration 142: trace = 2.57939639909439 (0.000491839% change) linmin: converged after 8 iterations. iteration 143: trace = 2.579388279752569 (0.000314777% change) linmin: converged after 3 iterations. iteration 144: trace = 2.579378552243709 (0.000377125% change) linmin: converged after 6 iterations. iteration 145: trace = 2.579359280246058 (0.000747159% change) linmin: converged after 3 iterations. iteration 146: trace = 2.579354515401984 (0.00018473% change) large trace change predicted (0.000506411%) linmin: converged after 8 iterations. iteration 147: trace = 2.579341463515056 (0.000506015% change) linmin: converged after 3 iterations. iteration 148: trace = 2.579328541119657 (0.000500997% change) linmin: converged after 4 iterations. iteration 149: trace = 2.57932162514439 (0.000268131% change) large trace change predicted (0.000612082%) linmin: converged after 3 iterations. iteration 150: trace = 2.579305838842733 (0.000612035% change) linmin: converged after 4 iterations. iteration 151: trace = 2.579296842491273 (0.00034879% change) linmin: converged after 3 iterations. iteration 152: trace = 2.579281595299001 (0.000591139% change) linmin: converged after 3 iterations. iteration 153: trace = 2.579262706042798 (0.000732348% change) linmin: converged after 4 iterations. iteration 154: trace = 2.579256466669243 (0.000241906% change) linmin: converged after 3 iterations. iteration 155: trace = 2.579244843842047 (0.000450628% change) linmin: converged after 3 iterations. iteration 156: trace = 2.579229499928375 (0.000594901% change) linmin: converged after 3 iterations. iteration 157: trace = 2.579225833301723 (0.00014216% change) large trace change predicted (0.000598052%) linmin: converged after 3 iterations. iteration 158: trace = 2.579210415829566 (0.000597758% change) linmin: converged after 3 iterations. iteration 159: trace = 2.579202872192492 (0.000292479% change) linmin: converged after 4 iterations. iteration 160: trace = 2.579194300329114 (0.000332346% change) linmin: converged after 3 iterations. iteration 161: trace = 2.579183234090278 (0.000429059% change) linmin: converged after 4 iterations. iteration 162: trace = 2.579177076317421 (0.000238749% change) linmin: converged after 6 iterations. iteration 163: trace = 2.579166583113692 (0.000406844% change) linmin: converged after 4 iterations. iteration 164: trace = 2.579150734762379 (0.000614478% change) linmin: converged after 3 iterations. iteration 165: trace = 2.579146892212581 (0.000148985% change) linmin: converged after 4 iterations. iteration 166: trace = 2.57913979939759 (0.000275007% change) linmin: converged after 4 iterations. iteration 167: trace = 2.579132919663073 (0.000266746% change) linmin: converged after 3 iterations. iteration 168: trace = 2.579130516362208 (9.31826e-05% change) large trace change predicted (0.000322816%) linmin: converged after 4 iterations. iteration 169: trace = 2.579122187050981 (0.000322951% change) linmin: converged after 3 iterations. iteration 170: trace = 2.579118803416007 (0.000131193% change) linmin: converged after 5 iterations. iteration 171: trace = 2.579114488093516 (0.000167318% change) linmin: converged after 3 iterations. iteration 172: trace = 2.579109064924683 (0.000210273% change) linmin: converged after 3 iterations. iteration 173: trace = 2.579106377122808 (0.000104214% change) linmin: converged after 10 iterations. iteration 174: trace = 2.579102879185829 (0.000135626% change) linmin: converged after 3 iterations. iteration 175: trace = 2.579097659114828 (0.000202399% change) linmin: converged after 3 iterations. iteration 176: trace = 2.579096401364937 (4.87671e-05% change) large trace change predicted (0.000221842%) linmin: converged after 3 iterations. iteration 177: trace = 2.579090674800652 (0.000222038% change) linmin: converged after 5 iterations. iteration 178: trace = 2.57908711058793 (0.000138197% change) linmin: converged after 4 iterations. iteration 179: trace = 2.579085264975734 (7.15607e-05% change) large trace change predicted (0.0002399%) linmin: converged after 3 iterations. iteration 180: trace = 2.579079074886856 (0.000240011% change) linmin: converged after 4 iterations. iteration 181: trace = 2.579076160976077 (0.000112983% change) linmin: converged after 3 iterations. iteration 182: trace = 2.579070757367755 (0.000209517% change) linmin: converged after 5 iterations. iteration 183: trace = 2.579062133148039 (0.000334393% change) linmin: converged after 3 iterations. iteration 184: trace = 2.579059574506094 (9.92083e-05% change) large trace change predicted (0.000233903%) linmin: converged after 3 iterations. iteration 185: trace = 2.579053541116616 (0.000233938% change) linmin: converged after 3 iterations. iteration 186: trace = 2.579045849975904 (0.000298216% change) linmin: converged after 4 iterations. iteration 187: trace = 2.579042501920684 (0.000129818% change) large trace change predicted (0.000302901%) linmin: converged after 5 iterations. iteration 188: trace = 2.579034692894698 (0.000302788% change) linmin: converged after 6 iterations. iteration 189: trace = 2.57903160921061 (0.000119567% change) linmin: converged after 4 iterations. iteration 190: trace = 2.579028621117473 (0.000115861% change) linmin: converged after 4 iterations. iteration 191: trace = 2.579022655294933 (0.000231321% change) linmin: converged after 13 iterations. iteration 192: trace = 2.579020981637274 (6.48951e-05% change) large trace change predicted (0.000179232%) linmin: converged after 18 iterations. iteration 193: trace = 2.579016363199398 (0.000179077% change) linmin: converged after 4 iterations. iteration 194: trace = 2.579010486487007 (0.000227867% change) linmin: converged after 3 iterations. iteration 195: trace = 2.579008983950309 (5.82602e-05% change) large trace change predicted (0.000143654%) linmin: converged after 14 iterations. iteration 196: trace = 2.57900528157252 (0.000143558% change) linmin: converged after 4 iterations. iteration 197: trace = 2.579001661777413 (0.000140356% change) linmin: converged after 5 iterations. iteration 198: trace = 2.579000216716951 (5.60318e-05% change) large trace change predicted (0.000143719%) linmin: converged after 12 iterations. iteration 199: trace = 2.578996512510935 (0.00014363% change) linmin: converged after 8 iterations. iteration 200: trace = 2.578994965206936 (5.99964e-05% change) large trace change predicted (0.000123383%) linmin: converged after 4 iterations. iteration 201: trace = 2.578991784702916 (0.000123323% change) linmin: converged after 3 iterations. iteration 202: trace = 2.578988673799553 (0.000120625% change) linmin: converged after 4 iterations. iteration 203: trace = 2.578987041775699 (6.32816e-05% change) linmin: converged after 3 iterations. iteration 204: trace = 2.578984245324334 (0.000108432% change) linmin: converged after 4 iterations. iteration 205: trace = 2.578979948552923 (0.000166607% change) linmin: converged after 4 iterations. iteration 206: trace = 2.578978759476258 (4.61065e-05% change) large trace change predicted (0.000159393%) linmin: converged after 4 iterations. iteration 207: trace = 2.578974647851428 (0.000159429% change) linmin: converged after 3 iterations. iteration 208: trace = 2.578972419690169 (8.63972e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 2.578970571015978 (7.16826e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 210: trace = 2.57896902314753 (6.00189e-05% change) linmin: converged after 2 iterations. iteration 211: trace = 2.578967699428833 (5.13275e-05% change) linmin: converged after 3 iterations. iteration 212: trace = 2.578965531619185 (8.40573e-05% change) linmin: converged after 9 iterations. iteration 213: trace = 2.578964903233052 (2.43658e-05% change) large trace change predicted (8.68719e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.578962661795469 (8.69123e-05% change) linmin: converged after 4 iterations. iteration 215: trace = 2.578960794964922 (7.23869e-05% change) linmin: converged after 3 iterations. iteration 216: trace = 2.578959973956169 (3.18349e-05% change) large trace change predicted (7.41753e-05%) linmin: converged after 3 iterations. iteration 217: trace = 2.57895806063757 (7.41896e-05% change) linmin: converged after 5 iterations. iteration 218: trace = 2.578956698729991 (5.28085e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 2.578955032234949 (6.4619e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.578953249304644 (6.91339e-05% change) linmin: converged after 3 iterations. iteration 221: trace = 2.578952763190909 (1.88493e-05% change) large trace change predicted (5.94239e-05%) linmin: converged after 5 iterations. iteration 222: trace = 2.578951230285838 (5.94391e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.5789495749286 (6.41872e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 2.578948997883961 (2.23752e-05% change) large trace change predicted (7.62976e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.578947029685699 (7.63179e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.578944779675347 (8.72453e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.578944139618348 (2.48186e-05% change) large trace change predicted (0.000104966%) linmin: converged after 4 iterations. iteration 228: trace = 2.57894143165448 (0.000105003% change) linmin: converged after 3 iterations. iteration 229: trace = 2.578940084552484 (5.22347e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.578938669210328 (5.48808e-05% change) linmin: converged after 3 iterations. iteration 231: trace = 2.578936271851268 (9.29592e-05% change) linmin: converged after 3 iterations. iteration 232: trace = 2.578935689729847 (2.25722e-05% change) large trace change predicted (8.28239e-05%) linmin: converged after 2 iterations. iteration 233: trace = 2.578933553755356 (8.28239e-05% change) linmin: converged after 3 iterations. iteration 234: trace = 2.578932277588847 (4.94843e-05% change) linmin: converged after 5 iterations. iteration 235: trace = 2.578931558308749 (2.78906e-05% change) large trace change predicted (6.9119e-05%) linmin: converged after 3 iterations. iteration 236: trace = 2.578929775938617 (6.91128e-05% change) linmin: converged after 7 iterations. iteration 237: trace = 2.578927681915258 (8.11974e-05% change) linmin: converged after 2 iterations. iteration 238: trace = 2.578927307360245 (1.45237e-05% change) large trace change predicted (7.6634e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.578925332207012 (7.65882e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.578924470717827 (3.3405e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.578923849846243 (2.40748e-05% change) large trace change predicted (4.95985e-05%) linmin: converged after 3 iterations. iteration 242: trace = 2.57892257127596 (4.95777e-05% change) linmin: converged after 7 iterations. iteration 243: trace = 2.578922283815265 (1.11465e-05% change) large trace change predicted (3.21426e-05%) linmin: converged after 5 iterations. iteration 244: trace = 2.578921455034727 (3.21367e-05% change) linmin: converged after 3 iterations. iteration 245: trace = 2.578920602831324 (3.3045e-05% change) linmin: converged after 2 iterations. iteration 246: trace = 2.578920339575498 (1.0208e-05% change) large trace change predicted (3.17353e-05%) linmin: converged after 5 iterations. iteration 247: trace = 2.578919521243326 (3.17316e-05% change) linmin: converged after 3 iterations. iteration 248: trace = 2.578918601641423 (3.56584e-05% change) linmin: converged after 2 iterations. iteration 249: trace = 2.578918151881921 (1.74399e-05% change) large trace change predicted (5.12963e-05%) linmin: converged after 3 iterations. iteration 250: trace = 2.578916829132448 (5.12909e-05% change) linmin: converged after 3 iterations. iteration 251: trace = 2.578916299272354 (2.05458e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.57891562054581 (2.63183e-05% change) linmin: converged after 5 iterations. iteration 253: trace = 2.578914731096893 (3.44893e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.578913679451401 (4.07786e-05% change) linmin: converged after 4 iterations. iteration 255: trace = 2.578913266686216 (1.60054e-05% change) large trace change predicted (5.40277e-05%) linmin: converged after 3 iterations. iteration 256: trace = 2.578911873026465 (5.40406e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 2.578911480189724 (1.52327e-05% change) large trace change predicted (3.39854e-05%) linmin: converged after 3 iterations. iteration 258: trace = 2.578910603653624 (3.39886e-05% change) linmin: converged after 3 iterations. iteration 259: trace = 2.578909348090638 (4.86858e-05% change) linmin: converged after 3 iterations. iteration 260: trace = 2.578909011721332 (1.30431e-05% change) large trace change predicted (6.38916e-05%) linmin: converged after 4 iterations. iteration 261: trace = 2.578907363961063 (6.38937e-05% change) linmin: converged after 3 iterations. iteration 262: trace = 2.578906388890173 (3.78095e-05% change) linmin: converged after 4 iterations. iteration 263: trace = 2.578905971315756 (1.61919e-05% change) large trace change predicted (3.76844e-05%) linmin: converged after 4 iterations. iteration 264: trace = 2.578904999335657 (3.76896e-05% change) linmin: converged after 3 iterations. iteration 265: trace = 2.578904108376322 (3.4548e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.578903851990263 (9.94167e-06% change) large trace change predicted (4.4242e-05%) linmin: converged after 5 iterations. iteration 267: trace = 2.578902711252484 (4.42334e-05% change) linmin: converged after 4 iterations. iteration 268: trace = 2.578902248812526 (1.79317e-05% change) linmin: converged after 4 iterations. iteration 269: trace = 2.578901705804483 (2.10558e-05% change) linmin: converged after 4 iterations. iteration 270: trace = 2.578900843404065 (3.34406e-05% change) linmin: converged after 7 iterations. iteration 271: trace = 2.578900645666602 (7.66751e-06% change) large trace change predicted (2.45719e-05%) linmin: converged after 8 iterations. iteration 272: trace = 2.578900011973643 (2.45722e-05% change) linmin: converged after 4 iterations. iteration 273: trace = 2.578899334407352 (2.62735e-05% change) linmin: converged after 3 iterations. iteration 274: trace = 2.578899123706742 (8.17018e-06% change) large trace change predicted (2.61149e-05%) linmin: converged after 3 iterations. iteration 275: trace = 2.578898450209252 (2.61157e-05% change) linmin: converged after 3 iterations. iteration 276: trace = 2.578898213822447 (9.16619e-06% change) linmin: converged after 14 iterations. iteration 277: trace = 2.578897848535566 (1.41645e-05% change) linmin: converged after 4 iterations. iteration 278: trace = 2.578897259488174 (2.28411e-05% change) linmin: converged after 4 iterations. iteration 279: trace = 2.578896697811086 (2.17797e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.578896241973919 (1.76757e-05% change) linmin: converged after 4 iterations. iteration 281: trace = 2.578895843061092 (1.54684e-05% change) linmin: converged after 3 iterations. iteration 282: trace = 2.578895612515214 (8.93971e-06% change) linmin: converged after 4 iterations. iteration 283: trace = 2.57889544199031 (6.61232e-06% change) large trace change predicted (1.71937e-05%) linmin: converged after 4 iterations. iteration 284: trace = 2.578894998612311 (1.71926e-05% change) linmin: converged after 3 iterations. iteration 285: trace = 2.57889486052752 (5.35442e-06% change) large trace change predicted (1.5317e-05%) linmin: converged after 3 iterations. iteration 286: trace = 2.57889446553857 (1.53162e-05% change) linmin: converged after 3 iterations. iteration 287: trace = 2.578894068100964 (1.54112e-05% change) linmin: converged after 3 iterations. iteration 288: trace = 2.578893959325635 (4.21791e-06% change) large trace change predicted (1.5865e-05%) linmin: converged after 3 iterations. iteration 289: trace = 2.578893550266271 (1.58618e-05% change) linmin: converged after 4 iterations. iteration 290: trace = 2.578893308053489 (9.39212e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.578893087859599 (8.53831e-06% change) linmin: converged after 3 iterations. iteration 292: trace = 2.578892655646249 (1.67596e-05% change) linmin: converged after 3 iterations. iteration 293: trace = 2.578892511129264 (5.60384e-06% change) large trace change predicted (1.17002e-05%) linmin: converged after 4 iterations. iteration 294: trace = 2.578892209452875 (1.16979e-05% change) linmin: converged after 3 iterations. iteration 295: trace = 2.578891800121638 (1.58724e-05% change) linmin: converged after 3 iterations. iteration 296: trace = 2.57889160628186 (7.5164e-06% change) linmin: converged after 5 iterations. iteration 297: trace = 2.578891228850099 (1.46354e-05% change) linmin: converged after 13 iterations. iteration 298: trace = 2.578890717163789 (1.98413e-05% change) linmin: converged after 2 iterations. iteration 299: trace = 2.578890539719477 (6.88065e-06% change) linmin: converged after 4 iterations. iteration 300: trace = 2.578890290483081 (9.66448e-06% change) linmin: converged after 3 iterations. iteration 301: trace = 2.578889961525526 (1.27558e-05% change) linmin: converged after 4 iterations. iteration 302: trace = 2.578889887795748 (2.85897e-06% change) large trace change predicted (1.27063e-05%) linmin: converged after 3 iterations. iteration 303: trace = 2.578889560151664 (1.27049e-05% change) linmin: converged after 3 iterations. iteration 304: trace = 2.578889337352475 (8.63935e-06% change) linmin: converged after 2 iterations. iteration 305: trace = 2.578889244576347 (3.59752e-06% change) large trace change predicted (9.01151e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.578889012208811 (9.01037e-06% change) linmin: converged after 2 iterations. iteration 307: trace = 2.578888788603815 (8.67059e-06% change) linmin: converged after 3 iterations. iteration 308: trace = 2.578888709944779 (3.05011e-06% change) large trace change predicted (1.0041e-05%) linmin: converged after 3 iterations. iteration 309: trace = 2.578888450987346 (1.00414e-05% change) linmin: converged after 3 iterations. iteration 310: trace = 2.578888326266121 (4.83624e-06% change) linmin: converged after 2 iterations. iteration 311: trace = 2.578888201279482 (4.84653e-06% change) linmin: converged after 3 iterations. iteration 312: trace = 2.578888028533574 (6.69846e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.578887961707215 (2.59129e-06% change) linmin: converged after 3 iterations. iteration 314: trace = 2.57888784886548 (4.3756e-06% change) linmin: converged after 4 iterations. iteration 315: trace = 2.578887685046229 (6.35232e-06% change) linmin: converged after 3 iterations. iteration 316: trace = 2.578887643012387 (1.62992e-06% change) large trace change predicted (6.51603e-06%) linmin: converged after 5 iterations. iteration 317: trace = 2.578887474954171 (6.51669e-06% change) linmin: converged after 4 iterations. iteration 318: trace = 2.578887311670011 (6.33157e-06% change) linmin: converged after 10 iterations. iteration 319: trace = 2.57888724960782 (2.40655e-06% change) large trace change predicted (1.01267e-05%) linmin: converged after 3 iterations. iteration 320: trace = 2.578886988427016 (1.01277e-05% change) linmin: converged after 3 iterations. iteration 321: trace = 2.578886935954951 (2.03468e-06% change) large trace change predicted (7.67331e-06%) linmin: converged after 3 iterations. iteration 322: trace = 2.578886738058058 (7.67373e-06% change) linmin: converged after 2 iterations. iteration 323: trace = 2.578886588366594 (5.8045e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.578886529103038 (2.29803e-06% change) large trace change predicted (6.21405e-06%) linmin: converged after 5 iterations. iteration 325: trace = 2.578886368852701 (6.21394e-06% change) linmin: converged after 3 iterations. iteration 326: trace = 2.578886158990578 (8.1377e-06% change) linmin: converged after 3 iterations. iteration 327: trace = 2.578886035712026 (4.7803e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.578885939372719 (3.73569e-06% change) linmin: converged after 4 iterations. iteration 329: trace = 2.578885788817776 (5.83798e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.578885732387192 (2.18818e-06% change) large trace change predicted (6.23893e-06%) linmin: converged after 4 iterations. iteration 331: trace = 2.578885571515369 (6.23804e-06% change) linmin: converged after 3 iterations. iteration 332: trace = 2.578885448289417 (4.77826e-06% change) linmin: converged after 5 iterations. iteration 333: trace = 2.578885392876492 (2.14872e-06% change) large trace change predicted (5.54789e-06%) linmin: converged after 11 iterations. iteration 334: trace = 2.578885249821361 (5.54717e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.578885206103884 (1.69521e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.578885136710719 (2.69082e-06% change) linmin: converged after 4 iterations. iteration 337: trace = 2.578885050046726 (3.36052e-06% change) linmin: converged after 5 iterations. iteration 338: trace = 2.578884959998245 (3.49176e-06% change) linmin: converged after 7 iterations. iteration 339: trace = 2.578884938076271 (8.50056e-07% change) large trace change predicted (4.49268e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.57888482222907 (4.49214e-06% change) linmin: converged after 3 iterations. iteration 341: trace = 2.578884771013445 (1.98596e-06% change) linmin: converged after 8 iterations. iteration 342: trace = 2.578884704013924 (2.598e-06% change) linmin: converged after 3 iterations. iteration 343: trace = 2.578884608043694 (3.72139e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.578884568228974 (1.54387e-06% change) large trace change predicted (3.5061e-06%) linmin: converged after 3 iterations. iteration 345: trace = 2.578884477813926 (3.50598e-06% change) linmin: converged after 32 iterations. iteration 346: trace = 2.57888440816081 (2.7009e-06% change) linmin: converged after 3 iterations. iteration 347: trace = 2.578884377325902 (1.19567e-06% change) large trace change predicted (2.95992e-06%) linmin: converged after 2 iterations. iteration 348: trace = 2.578884300992386 (2.95994e-06% change) linmin: converged after 4 iterations. iteration 349: trace = 2.578884199370362 (3.94054e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.578884116659355 (3.20724e-06% change) linmin: converged after 15 iterations. iteration 351: trace = 2.578884058645616 (2.24957e-06% change) linmin: converged after 2 iterations. iteration 352: trace = 2.578884036464944 (8.60088e-07% change) large trace change predicted (2.03024e-06%) linmin: converged after 17 iterations. iteration 353: trace = 2.578883984105725 (2.03031e-06% change) linmin: converged after 2 iterations. iteration 354: trace = 2.578883927608765 (2.19075e-06% change) linmin: converged after 5 iterations. iteration 355: trace = 2.57888390014904 (1.06479e-06% change) large trace change predicted (2.37462e-06%) linmin: converged after 3 iterations. iteration 356: trace = 2.578883838906447 (2.37477e-06% change) linmin: converged after 2 iterations. iteration 357: trace = 2.5788837970657 (1.62244e-06% change) linmin: converged after 30 iterations. iteration 358: trace = 2.57888376807427 (1.12419e-06% change) linmin: converged after 3 iterations. iteration 359: trace = 2.578883713670522 (2.10959e-06% change) linmin: converged after 3 iterations. iteration 360: trace = 2.578883701399795 (4.75815e-07% change) large trace change predicted (1.552e-06%) linmin: converged after 3 iterations. iteration 361: trace = 2.578883661374154 (1.55205e-06% change) linmin: converged after 2 iterations. iteration 362: trace = 2.578883615165985 (1.79179e-06% change) linmin: converged after 2 iterations. iteration 363: trace = 2.578883599986654 (5.88601e-07% change) large trace change predicted (1.47467e-06%) linmin: converged after 21 iterations. iteration 364: trace = 2.578883561955101 (1.47473e-06% change) linmin: converged after 3 iterations. iteration 365: trace = 2.578883499786162 (2.41069e-06% change) linmin: converged after 6 iterations. iteration 366: trace = 2.578883473259338 (1.02862e-06% change) large trace change predicted (2.16324e-06%) linmin: converged after 3 iterations. iteration 367: trace = 2.57888341746973 (2.16332e-06% change) linmin: converged after 12 iterations. iteration 368: trace = 2.578883362803683 (2.11976e-06% change) linmin: converged after 3 iterations. iteration 369: trace = 2.578883331312625 (1.22111e-06% change) linmin: converged after 3 iterations. iteration 370: trace = 2.578883278096646 (2.06353e-06% change) linmin: converged after 2 iterations. iteration 371: trace = 2.578883232301224 (1.77579e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.578883193866086 (1.49038e-06% change) linmin: converged after 3 iterations. iteration 373: trace = 2.578883128458537 (2.53627e-06% change) linmin: converged after 6 iterations. iteration 374: trace = 2.578883113782989 (5.69066e-07% change) large trace change predicted (1.66165e-06%) linmin: converged after 5 iterations. iteration 375: trace = 2.578883070932626 (1.66159e-06% change) linmin: converged after 11 iterations. iteration 376: trace = 2.578883018716562 (2.02476e-06% change) linmin: converged after 6 iterations. iteration 377: trace = 2.578882970182465 (1.88198e-06% change) linmin: converged after 9 iterations. iteration 378: trace = 2.578882952350625 (6.91456e-07% change) large trace change predicted (2.05739e-06%) linmin: converged after 3 iterations. iteration 379: trace = 2.578882899296014 (2.05727e-06% change) linmin: converged after 10 iterations. iteration 380: trace = 2.578882881506566 (6.89812e-07% change) linmin: converged after 4 iterations. iteration 381: trace = 2.578882853475612 (1.08694e-06% change) linmin: converged after 27 iterations. iteration 382: trace = 2.578882815943033 (1.45538e-06% change) linmin: converged after 5 iterations. iteration 383: trace = 2.578882806889427 (3.51067e-07% change) large trace change predicted (1.06703e-06%) linmin: converged after 4 iterations. iteration 384: trace = 2.578882779372916 (1.06699e-06% change) linmin: converged after 3 iterations. iteration 385: trace = 2.578882755527427 (9.24644e-07% change) linmin: converged after 3 iterations. iteration 386: trace = 2.578882744525212 (4.26627e-07% change) large trace change predicted (1.01891e-06%) linmin: converged after 3 iterations. iteration 387: trace = 2.578882718249225 (1.01889e-06% change) linmin: converged after 2 iterations. iteration 388: trace = 2.578882703063015 (5.88868e-07% change) linmin: converged after 4 iterations. iteration 389: trace = 2.578882679998177 (8.94373e-07% change) linmin: converged after 17 iterations. iteration 390: trace = 2.578882640629375 (1.52658e-06% change) linmin: converged after 4 iterations. iteration 391: trace = 2.578882633940746 (2.59362e-07% change) large trace change predicted (1.42673e-06%) linmin: converged after 4 iterations. iteration 392: trace = 2.578882597146995 (1.42673e-06% change) linmin: converged after 2 iterations. iteration 393: trace = 2.578882569518502 (1.07134e-06% change) linmin: converged after 3 iterations. iteration 394: trace = 2.578882553965367 (6.03096e-07% change) linmin: converged after 2 iterations. iteration 395: trace = 2.578882530776598 (8.99179e-07% change) linmin: converged after 5 iterations. iteration 396: trace = 2.578882500050447 (1.19145e-06% change) linmin: converged after 6 iterations. iteration 397: trace = 2.578882489042851 (4.26836e-07% change) large trace change predicted (1.115e-06%) linmin: converged after 3 iterations. iteration 398: trace = 2.578882460288019 (1.11501e-06% change) linmin: converged after 2 iterations. iteration 399: trace = 2.578882432897072 (1.06212e-06% change) linmin: converged after 4 iterations. iteration 400: trace = 2.578882421877958 (4.27283e-07% change) large trace change predicted (1.64314e-06%) linmin: converged after 2 iterations. iteration 401: trace = 2.578882379502339 (1.64318e-06% change) linmin: converged after 3 iterations. iteration 402: trace = 2.578882367864802 (4.51263e-07% change) large trace change predicted (1.12085e-06%) linmin: converged after 8 iterations. iteration 403: trace = 2.578882338957688 (1.12092e-06% change) linmin: converged after 5 iterations. iteration 404: trace = 2.578882310266573 (1.11254e-06% change) linmin: converged after 2 iterations. iteration 405: trace = 2.578882300352086 (3.84449e-07% change) linmin: converged after 2 iterations. iteration 406: trace = 2.578882283079114 (6.69785e-07% change) linmin: converged after 3 iterations. iteration 407: trace = 2.578882259177726 (9.26812e-07% change) linmin: converged after 5 iterations. iteration 408: trace = 2.578882247956715 (4.35111e-07% change) linmin: converged after 3 iterations. iteration 409: trace = 2.57888223444814 (5.23815e-07% change) linmin: converged after 3 iterations. iteration 410: trace = 2.578882212189181 (8.63124e-07% change) linmin: converged after 12 iterations. iteration 411: trace = 2.578882206515553 (2.20003e-07% change) large trace change predicted (6.59205e-07%) linmin: converged after 2 iterations. iteration 412: trace = 2.578882189515412 (6.59206e-07% change) linmin: converged after 16 iterations. iteration 413: trace = 2.578882167133094 (8.67908e-07% change) linmin: converged after 20 iterations. iteration 414: trace = 2.578882162543898 (1.77953e-07% change) large trace change predicted (7.20905e-07%) linmin: converged after 13 iterations. iteration 415: trace = 2.578882143952733 (7.209e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.578882138199545 (2.23088e-07% change) linmin: converged after 2 iterations. iteration 417: trace = 2.578882128500576 (3.76092e-07% change) linmin: converged after 2 iterations. iteration 418: trace = 2.578882115845795 (4.90708e-07% change) linmin: converged after 20 iterations. iteration 419: trace = 2.57888211063133 (2.02199e-07% change) resetting CG direction... linmin: converged after 16 iterations. iteration 420: trace = 2.578882105624677 (1.9414e-07% change) large trace change predicted (4.22431e-07%) linmin: converged after 3 iterations. iteration 421: trace = 2.578882094730754 (4.22428e-07% change) linmin: converged after 3 iterations. iteration 422: trace = 2.57888208676304 (3.0896e-07% change) linmin: converged after 9 iterations. iteration 423: trace = 2.578882082194057 (1.77169e-07% change) large trace change predicted (5.53253e-07%) linmin: converged after 3 iterations. iteration 424: trace = 2.578882067926347 (5.53252e-07% change) linmin: converged after 6 iterations. iteration 425: trace = 2.57888206455133 (1.30871e-07% change) large trace change predicted (5.55757e-07%) linmin: converged after 4 iterations. iteration 426: trace = 2.578882050219244 (5.55748e-07% change) linmin: converged after 22 iterations. iteration 427: trace = 2.578882039301253 (4.23361e-07% change) linmin: converged after 29 iterations. iteration 428: trace = 2.578882035916876 (1.31234e-07% change) large trace change predicted (4.92629e-07%) linmin: converged after 16 iterations. iteration 429: trace = 2.578882023212756 (4.92621e-07% change) linmin: converged after 2 iterations. iteration 430: trace = 2.578882016030413 (2.78506e-07% change) linmin: converged after 4 iterations. iteration 431: trace = 2.57888201061992 (2.098e-07% change) large trace change predicted (4.41943e-07%) linmin: converged after 5 iterations. iteration 432: trace = 2.578881999222959 (4.41934e-07% change) linmin: converged after 9 iterations. iteration 433: trace = 2.578881990164549 (3.51253e-07% change) linmin: converged after 3 iterations. iteration 434: trace = 2.578881985954999 (1.63232e-07% change) large trace change predicted (4.93198e-07%) linmin: converged after 5 iterations. iteration 435: trace = 2.578881973236215 (4.9319e-07% change) linmin: converged after 20 iterations. iteration 436: trace = 2.578881962807785 (4.04378e-07% change) linmin: converged after 4 iterations. iteration 437: trace = 2.578881957293434 (2.13827e-07% change) large trace change predicted (5.69584e-07%) linmin: converged after 20 iterations. iteration 438: trace = 2.57888194260472 (5.69577e-07% change) linmin: converged after 3 iterations. iteration 439: trace = 2.578881938537754 (1.57703e-07% change) large trace change predicted (3.27811e-07%) linmin: converged after 8 iterations. iteration 440: trace = 2.578881930083957 (3.27809e-07% change) linmin: converged after 10 iterations. iteration 441: trace = 2.578881920162149 (3.84733e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.578881912464808 (2.98476e-07% change) linmin: converged after 11 iterations. iteration 443: trace = 2.578881908075124 (1.70217e-07% change) linmin: converged after 4 iterations. iteration 444: trace = 2.578881900367723 (2.98866e-07% change) linmin: converged after 3 iterations. iteration 445: trace = 2.57888189572206 (1.80143e-07% change) linmin: converged after 3 iterations. iteration 446: trace = 2.578881890744253 (1.93022e-07% change) linmin: converged after 2 iterations. iteration 447: trace = 2.578881881909399 (3.42585e-07% change) linmin: converged after 4 iterations. iteration 448: trace = 2.578881880018332 (7.33289e-08% change) large trace change predicted (2.81432e-07%) linmin: converged after 3 iterations. iteration 449: trace = 2.578881872760469 (2.81434e-07% change) linmin: converged after 2 iterations. iteration 450: trace = 2.57888186673831 (2.33518e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.5788818639563 (1.07877e-07% change) linmin: converged after 4 iterations. iteration 452: trace = 2.578881859993886 (1.53649e-07% change) linmin: converged after 9 iterations. iteration 453: trace = 2.578881854783525 (2.0204e-07% change) linmin: converged after 4 iterations. iteration 454: trace = 2.578881853007518 (6.88673e-08% change) large trace change predicted (1.52945e-07%) linmin: converged after 4 iterations. iteration 455: trace = 2.578881849063212 (1.52946e-07% change) linmin: converged after 16 iterations. iteration 456: trace = 2.578881843086535 (2.31755e-07% change) linmin: converged after 7 iterations. iteration 457: trace = 2.57888183978997 (1.27829e-07% change) linmin: converged after 7 iterations. iteration 458: trace = 2.578881835958173 (1.48584e-07% change) linmin: converged after 3 iterations. iteration 459: trace = 2.578881828467651 (2.90456e-07% change) linmin: converged after 3 iterations. iteration 460: trace = 2.578881827035234 (5.55441e-08% change) large trace change predicted (2.62877e-07%) linmin: converged after 4 iterations. iteration 461: trace = 2.578881820255876 (2.6288e-07% change) linmin: converged after 3 iterations. iteration 462: trace = 2.578881817775461 (9.61818e-08% change) linmin: converged after 3 iterations. iteration 463: trace = 2.578881814346596 (1.32959e-07% change) linmin: converged after 4 iterations. iteration 464: trace = 2.578881808577203 (2.23717e-07% change) linmin: converged after 12 iterations. iteration 465: trace = 2.578881805941811 (1.02191e-07% change) linmin: converged after 4 iterations. iteration 466: trace = 2.578881801060249 (1.8929e-07% change) linmin: converged after 5 iterations. iteration 467: trace = 2.578881795843017 (2.02306e-07% change) linmin: converged after 7 iterations. iteration 468: trace = 2.578881794179496 (6.45055e-08% change) large trace change predicted (1.59521e-07%) linmin: converged after 4 iterations. iteration 469: trace = 2.57888179006568 (1.59519e-07% change) linmin: converged after 4 iterations. iteration 470: trace = 2.578881784015823 (2.34592e-07% change) linmin: converged after 5 iterations. iteration 471: trace = 2.578881781443343 (9.97518e-08% change) linmin: converged after 9 iterations. iteration 472: trace = 2.578881778556654 (1.11936e-07% change) linmin: converged after 3 iterations. iteration 473: trace = 2.578881774866784 (1.4308e-07% change) linmin: converged after 5 iterations. iteration 474: trace = 2.578881773660004 (4.67947e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.578881771567481 (8.11407e-08% change) linmin: converged after 4 iterations. iteration 476: trace = 2.578881768884465 (1.04038e-07% change) linmin: converged after 14 iterations. iteration 477: trace = 2.578881768221123 (2.57221e-08% change) large trace change predicted (9.21641e-08%) linmin: converged after 14 iterations. iteration 478: trace = 2.578881765844351 (9.21629e-08% change) linmin: converged after 5 iterations. iteration 479: trace = 2.578881763287353 (9.91514e-08% change) linmin: converged after 6 iterations. iteration 480: trace = 2.578881762435282 (3.30404e-08% change) large trace change predicted (1.04227e-07%) linmin: converged after 4 iterations. iteration 481: trace = 2.578881759747437 (1.04225e-07% change) linmin: converged after 7 iterations. iteration 482: trace = 2.578881756528326 (1.24826e-07% change) linmin: converged after 4 iterations. iteration 483: trace = 2.578881755828173 (2.71495e-08% change) large trace change predicted (1.25791e-07%) linmin: converged after 4 iterations. iteration 484: trace = 2.578881752584197 (1.2579e-07% change) linmin: converged after 2 iterations. iteration 485: trace = 2.578881750817801 (6.84947e-08% change) linmin: converged after 3 iterations. iteration 486: trace = 2.578881749817505 (3.8788e-08% change) large trace change predicted (1.0013e-07%) linmin: converged after 3 iterations. iteration 487: trace = 2.578881747235278 (1.0013e-07% change) large trace change predicted (2.43235e-07%) linmin: converged after 6 iterations. iteration 488: trace = 2.57888174096231 (2.43244e-07% change) large trace change predicted (6.32619e-07%) linmin: converged after 5 iterations. iteration 489: trace = 2.578881724647273 (6.3264e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.578881718426556 (2.41218e-07% change) linmin: converged after 4 iterations. iteration 491: trace = 2.578881716780178 (6.38408e-08% change) linmin: converged after 7 iterations. iteration 492: trace = 2.578881714248487 (9.81701e-08% change) linmin: converged after 5 iterations. iteration 493: trace = 2.578881712980371 (4.91731e-08% change) linmin: converged after 7 iterations. iteration 494: trace = 2.578881712148531 (3.22558e-08% change) linmin: converged after 7 iterations. iteration 495: trace = 2.578881710508369 (6.35997e-08% change) linmin: converged after 5 iterations. iteration 496: trace = 2.578881710055911 (1.75447e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.578881709201378 (3.31358e-08% change) linmin: converged after 5 iterations. iteration 498: trace = 2.578881708396628 (3.12054e-08% change) linmin: converged after 5 iterations. iteration 499: trace = 2.578881708040746 (1.37999e-08% change) large trace change predicted (4.78392e-08%) linmin: converged after 4 iterations. iteration 500: trace = 2.578881706807022 (4.78395e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.578881705319007 (5.77e-08% change) linmin: converged after 10 iterations. iteration 502: trace = 2.578881704844703 (1.83918e-08% change) large trace change predicted (4.39255e-08%) linmin: converged after 15 iterations. iteration 503: trace = 2.578881703711909 (4.39258e-08% change) linmin: converged after 8 iterations. iteration 504: trace = 2.578881702842232 (3.3723e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.578881702605541 (9.17805e-09% change) large trace change predicted (5.31418e-08%) linmin: converged after 4 iterations. iteration 506: trace = 2.578881701235065 (5.31423e-08% change) linmin: converged after 4 iterations. iteration 507: trace = 2.578881699599157 (6.34348e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.578881698862904 (2.85493e-08% change) large trace change predicted (6.56085e-08%) linmin: converged after 4 iterations. iteration 509: trace = 2.578881697170931 (6.56088e-08% change) linmin: converged after 24 iterations. iteration 510: trace = 2.57888169666101 (1.9773e-08% change) linmin: converged after 3 iterations. iteration 511: trace = 2.578881695920174 (2.8727e-08% change) linmin: converged after 2 iterations. iteration 512: trace = 2.578881694668283 (4.85439e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.578881693905658 (2.95719e-08% change) linmin: converged after 12 iterations. iteration 514: trace = 2.578881693429598 (1.84599e-08% change) linmin: converged after 5 iterations. iteration 515: trace = 2.578881692567755 (3.34193e-08% change) linmin: converged after 4 iterations. iteration 516: trace = 2.578881692083071 (1.87943e-08% change) linmin: converged after 4 iterations. iteration 517: trace = 2.578881691498053 (2.26849e-08% change) linmin: converged after 6 iterations. iteration 518: trace = 2.578881690786688 (2.75843e-08% change) linmin: converged after 7 iterations. iteration 519: trace = 2.578881690544526 (9.39019e-09% change) large trace change predicted (3.33005e-08%) linmin: converged after 9 iterations. iteration 520: trace = 2.578881689685758 (3.33e-08% change) linmin: converged after 4 iterations. iteration 521: trace = 2.578881688906706 (3.02089e-08% change) linmin: converged after 7 iterations. iteration 522: trace = 2.578881688428924 (1.85267e-08% change) linmin: converged after 8 iterations. iteration 523: trace = 2.578881688124509 (1.18041e-08% change) large trace change predicted (3.26334e-08%) linmin: converged after 6 iterations. iteration 524: trace = 2.578881687282942 (3.2633e-08% change) linmin: converged after 3 iterations. iteration 525: trace = 2.578881687040559 (9.39876e-09% change) large trace change predicted (1.94505e-08%) linmin: converged after 8 iterations. iteration 526: trace = 2.578881686538957 (1.94504e-08% change) linmin: converged after 28 iterations. iteration 527: trace = 2.578881685941983 (2.31485e-08% change) linmin: converged after 7 iterations. iteration 528: trace = 2.578881685700483 (9.36451e-09% change) large trace change predicted (3.7376e-08%) linmin: converged after 7 iterations. iteration 529: trace = 2.578881684736602 (3.7376e-08% change) linmin: converged after 4 iterations. iteration 530: trace = 2.578881683860251 (3.39818e-08% change) linmin: converged after 6 iterations. iteration 531: trace = 2.578881683598155 (1.01632e-08% change) large trace change predicted (2.16464e-08%) linmin: converged after 5 iterations. iteration 532: trace = 2.578881683039921 (2.16463e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.578881682597069 (1.71723e-08% change) linmin: converged after 23 iterations. iteration 534: trace = 2.578881682325931 (1.05138e-08% change) large trace change predicted (3.5112e-08%) linmin: converged after 3 iterations. iteration 535: trace = 2.578881681420434 (3.5112e-08% change) linmin: converged after 19 iterations. iteration 536: trace = 2.578881680759065 (2.56456e-08% change) linmin: converged after 26 iterations. iteration 537: trace = 2.578881680517772 (9.35651e-09% change) large trace change predicted (2.50835e-08%) linmin: converged after 4 iterations. iteration 538: trace = 2.5788816798709 (2.50834e-08% change) linmin: converged after 5 iterations. iteration 539: trace = 2.578881679263183 (2.35651e-08% change) linmin: converged after 4 iterations. iteration 540: trace = 2.578881679054399 (8.09592e-09% change) large trace change predicted (2.08287e-08%) linmin: converged after 7 iterations. iteration 541: trace = 2.578881678517249 (2.08288e-08% change) linmin: converged after 5 iterations. iteration 542: trace = 2.578881678158877 (1.38964e-08% change) linmin: converged after 11 iterations. iteration 543: trace = 2.578881677940108 (8.4831e-09% change) linmin: converged after 7 iterations. iteration 544: trace = 2.578881677524349 (1.61217e-08% change) linmin: converged after 6 iterations. iteration 545: trace = 2.578881677206355 (1.23307e-08% change) linmin: converged after 4 iterations. iteration 546: trace = 2.578881676968276 (9.23187e-09% change) large trace change predicted (1.86965e-08%) linmin: converged after 4 iterations. iteration 547: trace = 2.578881676486112 (1.86966e-08% change) linmin: converged after 4 iterations. iteration 548: trace = 2.578881676296866 (7.3383e-09% change) linmin: converged after 13 iterations. iteration 549: trace = 2.578881676070456 (8.77942e-09% change) linmin: converged after 4 iterations. iteration 550: trace = 2.578881675728816 (1.32476e-08% change) linmin: converged after 3 iterations. iteration 551: trace = 2.578881675497678 (8.96271e-09% change) linmin: converged after 3 iterations. iteration 552: trace = 2.578881675242907 (9.87914e-09% change) linmin: converged after 6 iterations. iteration 553: trace = 2.57888167487022 (1.44515e-08% change) linmin: converged after 19 iterations. iteration 554: trace = 2.578881674776116 (3.64902e-09% change) large trace change predicted (8.65085e-09%) linmin: converged after 21 iterations. iteration 555: trace = 2.578881674553021 (8.65086e-09% change) linmin: converged after 11 iterations. iteration 556: trace = 2.57888167437303 (6.97939e-09% change) linmin: converged after 4 iterations. iteration 557: trace = 2.578881674323784 (1.90959e-09% change) large trace change predicted (1.07489e-08%) linmin: converged after 4 iterations. iteration 558: trace = 2.578881674046585 (1.07488e-08% change) linmin: converged after 4 iterations. iteration 559: trace = 2.578881673624115 (1.63819e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.578881673512144 (4.34184e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.578881673295886 (8.38573e-09% change) linmin: converged after 7 iterations. iteration 562: trace = 2.578881673157047 (5.3837e-09% change) linmin: converged after 7 iterations. iteration 563: trace = 2.578881673066309 (3.51849e-09% change) linmin: converged after 5 iterations. iteration 564: trace = 2.578881672932382 (5.19322e-09% change) linmin: converged after 19 iterations. iteration 565: trace = 2.578881672734481 (7.67392e-09% change) linmin: converged after 6 iterations. iteration 566: trace = 2.578881672675247 (2.29689e-09% change) large trace change predicted (7.54241e-09%) linmin: converged after 20 iterations. iteration 567: trace = 2.578881672480739 (7.54234e-09% change) linmin: converged after 4 iterations. iteration 568: trace = 2.578881672331461 (5.78846e-09% change) linmin: converged after 5 iterations. iteration 569: trace = 2.578881672236288 (3.69047e-09% change) large trace change predicted (9.53334e-09%) linmin: converged after 4 iterations. iteration 570: trace = 2.578881671990434 (9.53337e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.578881671914584 (2.94118e-09% change) large trace change predicted (7.29543e-09%) linmin: converged after 12 iterations. iteration 572: trace = 2.578881671726443 (7.29547e-09% change) linmin: converged after 21 iterations. iteration 573: trace = 2.578881671543017 (7.11262e-09% change) linmin: converged after 3 iterations. iteration 574: trace = 2.578881671473154 (2.70905e-09% change) large trace change predicted (6.57549e-09%) linmin: converged after 12 iterations. iteration 575: trace = 2.57888167130358 (6.57547e-09% change) linmin: converged after 7 iterations. iteration 576: trace = 2.578881671088701 (8.33226e-09% change) linmin: converged after 5 iterations. iteration 577: trace = 2.578881671032781 (2.16837e-09% change) large trace change predicted (1.09121e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.578881670751375 (1.09119e-08% change) linmin: converged after 12 iterations. iteration 579: trace = 2.578881670591658 (6.19327e-09% change) linmin: converged after 4 iterations. iteration 580: trace = 2.578881670513216 (3.04169e-09% change) large trace change predicted (1.04119e-08%) linmin: converged after 20 iterations. iteration 581: trace = 2.578881670244702 (1.0412e-08% change) linmin: converged after 4 iterations. iteration 582: trace = 2.578881670042271 (7.84955e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.578881669975914 (2.57311e-09% change) large trace change predicted (7.51575e-09%) linmin: converged after 4 iterations. iteration 584: trace = 2.578881669782093 (7.5157e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.578881669703646 (3.0419e-09% change) linmin: converged after 3 iterations. iteration 586: trace = 2.578881669557983 (5.6483e-09% change) linmin: converged after 22 iterations. iteration 587: trace = 2.578881669411186 (5.69227e-09% change) linmin: converged after 7 iterations. iteration 588: trace = 2.578881669317883 (3.61797e-09% change) linmin: converged after 4 iterations. iteration 589: trace = 2.578881669236906 (3.14e-09% change) large trace change predicted (6.96832e-09%) linmin: converged after 20 iterations. iteration 590: trace = 2.5788816690572 (6.96837e-09% change) linmin: converged after 24 iterations. iteration 591: trace = 2.57888166890418 (5.93359e-09% change) linmin: converged after 18 iterations. iteration 592: trace = 2.578881668853529 (1.96404e-09% change) large trace change predicted (5.39672e-09%) linmin: converged after 11 iterations. iteration 593: trace = 2.578881668714356 (5.39665e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.578881668589363 (4.84682e-09% change) linmin: converged after 5 iterations. iteration 595: trace = 2.578881668560112 (1.13424e-09% change) large trace change predicted (3.13085e-09%) linmin: converged after 7 iterations. iteration 596: trace = 2.578881668479373 (3.13076e-09% change) linmin: converged after 4 iterations. iteration 597: trace = 2.578881668368087 (4.3153e-09% change) linmin: converged after 12 iterations. iteration 598: trace = 2.578881668327885 (1.5589e-09% change) large trace change predicted (5.339e-09%) linmin: converged after 5 iterations. iteration 599: trace = 2.578881668190197 (5.33904e-09% change) linmin: converged after 15 iterations. iteration 600: trace = 2.578881668069743 (4.67078e-09% change) linmin: converged after 24 iterations. iteration 601: trace = 2.578881668035215 (1.33889e-09% change) large trace change predicted (3.15479e-09%) linmin: converged after 12 iterations. iteration 602: trace = 2.578881667953855 (3.15485e-09% change) linmin: converged after 21 iterations. iteration 603: trace = 2.578881667910796 (1.66967e-09% change) linmin: converged after 24 iterations. iteration 604: trace = 2.578881667856274 (2.11418e-09% change) linmin: converged after 3 iterations. iteration 605: trace = 2.578881667765254 (3.52944e-09% change) linmin: converged after 19 iterations. iteration 606: trace = 2.578881667737539 (1.0747e-09% change) large trace change predicted (3.07161e-09%) linmin: converged after 2 iterations. iteration 607: trace = 2.578881667658322 (3.07173e-09% change) linmin: converged after 7 iterations. iteration 608: trace = 2.578881667584383 (2.86712e-09% change) linmin: converged after 4 iterations. iteration 609: trace = 2.578881667557337 (1.04875e-09% change) large trace change predicted (3.28848e-09%) linmin: converged after 27 iterations. iteration 610: trace = 2.57888166747253 (3.28853e-09% change) linmin: converged after 24 iterations. iteration 611: trace = 2.57888166736174 (4.29605e-09% change) linmin: converged after 10 iterations. iteration 612: trace = 2.578881667282033 (3.09075e-09% change) linmin: converged after 23 iterations. iteration 613: trace = 2.578881667222985 (2.28965e-09% change) linmin: converged after 4 iterations. iteration 614: trace = 2.578881667151451 (2.77383e-09% change) linmin: converged after 9 iterations. iteration 615: trace = 2.578881667116891 (1.34013e-09% change) linmin: converged after 19 iterations. iteration 616: trace = 2.578881667068707 (1.86839e-09% change) linmin: converged after 24 iterations. iteration 617: trace = 2.578881666997116 (2.77607e-09% change) linmin: converged after 4 iterations. iteration 618: trace = 2.578881666943873 (2.06455e-09% change) linmin: converged after 4 iterations. iteration 619: trace = 2.578881666924302 (7.58895e-10% change) large trace change predicted (2.04941e-09%) linmin: converged after 6 iterations. iteration 620: trace = 2.578881666871453 (2.04933e-09% change) linmin: converged after 8 iterations. iteration 621: trace = 2.578881666829185 (1.63899e-09% change) linmin: converged after 6 iterations. iteration 622: trace = 2.578881666776131 (2.05725e-09% change) linmin: converged after 5 iterations. iteration 623: trace = 2.578881666709835 (2.57074e-09% change) linmin: converged after 7 iterations. iteration 624: trace = 2.578881666694345 (6.00641e-10% change) large trace change predicted (1.31907e-09%) linmin: converged after 15 iterations. iteration 625: trace = 2.578881666660327 (1.3191e-09% change) linmin: converged after 16 iterations. iteration 626: trace = 2.578881666625079 (1.3668e-09% change) linmin: converged after 4 iterations. iteration 627: trace = 2.578881666610428 (5.68112e-10% change) large trace change predicted (3.02454e-09%) linmin: converged after 3 iterations. iteration 628: trace = 2.578881666532428 (3.02456e-09% change) linmin: converged after 6 iterations. iteration 629: trace = 2.578881666402975 (5.01973e-09% change) resetting CG direction... linmin: converged after 2 iterations. iteration 630: trace = 2.578881666365661 (1.44689e-09% change) linmin: converged after 14 iterations. iteration 631: trace = 2.578881666308834 (2.20355e-09% change) linmin: converged after 4 iterations. iteration 632: trace = 2.578881666271098 (1.46327e-09% change) linmin: converged after 3 iterations. iteration 633: trace = 2.578881666261256 (3.81652e-10% change) large trace change predicted (1.10518e-09%) linmin: converged after 4 iterations. iteration 634: trace = 2.578881666232756 (1.10514e-09% change) linmin: converged after 5 iterations. iteration 635: trace = 2.578881666211092 (8.40037e-10% change) linmin: converged after 8 iterations. iteration 636: trace = 2.578881666196355 (5.71436e-10% change) linmin: converged after 15 iterations. iteration 637: trace = 2.578881666170575 (9.99686e-10% change) linmin: converged after 7 iterations. iteration 638: trace = 2.578881666158961 (4.50326e-10% change) linmin: converged after 3 iterations. iteration 639: trace = 2.578881666137326 (8.38952e-10% change) large trace change predicted (1.70635e-09%) linmin: converged after 16 iterations. iteration 640: trace = 2.578881666093318 (1.70646e-09% change) linmin: converged after 4 iterations. iteration 641: trace = 2.578881666076654 (6.46189e-10% change) large trace change predicted (1.54369e-09%) linmin: converged after 10 iterations. iteration 642: trace = 2.578881666036843 (1.54371e-09% change) linmin: converged after 4 iterations. iteration 643: trace = 2.578881665998372 (1.49179e-09% change) linmin: converged after 6 iterations. iteration 644: trace = 2.578881665989188 (3.56131e-10% change) large trace change predicted (9.14615e-10%) linmin: converged after 4 iterations. iteration 645: trace = 2.5788816659656 (9.14652e-10% change) linmin: converged after 13 iterations. iteration 646: trace = 2.578881665938786 (1.03974e-09% change) linmin: converged after 3 iterations. iteration 647: trace = 2.578881665927605 (4.33588e-10% change) large trace change predicted (1.85373e-09%) linmin: converged after 5 iterations. iteration 648: trace = 2.578881665879801 (1.85365e-09% change) linmin: converged after 6 iterations. iteration 649: trace = 2.578881665849486 (1.17552e-09% change) linmin: converged after 3 iterations. iteration 650: trace = 2.578881665837637 (4.59453e-10% change) linmin: converged after 4 iterations. iteration 651: trace = 2.578881665818133 (7.56295e-10% change) linmin: converged after 3 iterations. iteration 652: trace = 2.578881665793404 (9.58891e-10% change) linmin: converged after 3 iterations. iteration 653: trace = 2.57888166578838 (1.94847e-10% change) large trace change predicted (6.15716e-10%) linmin: converged after 3 iterations. iteration 654: trace = 2.578881665772504 (6.15606e-10% change) linmin: converged after 5 iterations. iteration 655: trace = 2.578881665755103 (6.74757e-10% change) linmin: converged after 15 iterations. iteration 656: trace = 2.578881665733172 (8.50404e-10% change) linmin: converged after 3 iterations. iteration 657: trace = 2.578881665727903 (2.04301e-10% change) large trace change predicted (8.55276e-10%) linmin: converged after 12 iterations. iteration 658: trace = 2.578881665705846 (8.55277e-10% change) linmin: converged after 5 iterations. iteration 659: trace = 2.578881665687642 (7.05891e-10% change) linmin: converged after 12 iterations. iteration 660: trace = 2.578881665677319 (4.00284e-10% change) large trace change predicted (1.03966e-09%) linmin: converged after 3 iterations. iteration 661: trace = 2.578881665650508 (1.03965e-09% change) linmin: converged after 4 iterations. iteration 662: trace = 2.578881665630861 (7.6184e-10% change) linmin: converged after 15 iterations. iteration 663: trace = 2.578881665624601 (2.42754e-10% change) large trace change predicted (8.73049e-10%) linmin: converged after 10 iterations. iteration 664: trace = 2.578881665602088 (8.72979e-10% change) linmin: converged after 3 iterations. iteration 665: trace = 2.578881665585691 (6.35805e-10% change) linmin: converged after 9 iterations. iteration 666: trace = 2.578881665579373 (2.44975e-10% change) large trace change predicted (5.44998e-10%) linmin: converged after 3 iterations. iteration 667: trace = 2.578881665565317 (5.45072e-10% change) linmin: converged after 3 iterations. iteration 668: trace = 2.578881665550274 (5.83318e-10% change) linmin: converged after 8 iterations. iteration 669: trace = 2.578881665539279 (4.26321e-10% change) linmin: converged after 15 iterations. iteration 670: trace = 2.578881665517534 (8.43188e-10% change) linmin: converged after 3 iterations. iteration 671: trace = 2.5788816655135 (1.56429e-10% change) large trace change predicted (6.11963e-10%) linmin: converged after 7 iterations. iteration 672: trace = 2.578881665497717 (6.12007e-10% change) linmin: converged after 3 iterations. iteration 673: trace = 2.578881665485625 (4.68907e-10% change) linmin: converged after 2 iterations. iteration 674: trace = 2.578881665477133 (3.29285e-10% change) linmin: converged after 4 iterations. iteration 675: trace = 2.578881665468803 (3.23017e-10% change) linmin: converged after 15 iterations. iteration 676: trace = 2.578881665455805 (5.04002e-10% change) linmin: converged after 15 iterations. iteration 677: trace = 2.578881665446927 (3.44267e-10% change) linmin: converged after 4 iterations. iteration 678: trace = 2.578881665434703 (4.74004e-10% change) linmin: converged after 14 iterations. iteration 679: trace = 2.578881665414669 (7.76839e-10% change) linmin: converged after 4 iterations. iteration 680: trace = 2.578881665410171 (1.74406e-10% change) large trace change predicted (5.34734e-10%) linmin: converged after 6 iterations. iteration 681: trace = 2.578881665396382 (5.34705e-10% change) linmin: converged after 13 iterations. iteration 682: trace = 2.578881665382299 (5.46105e-10% change) linmin: converged after 12 iterations. iteration 683: trace = 2.578881665377376 (1.90886e-10% change) large trace change predicted (4.80507e-10%) linmin: converged after 11 iterations. iteration 684: trace = 2.578881665364982 (4.80582e-10% change) linmin: converged after 4 iterations. iteration 685: trace = 2.578881665352843 (4.70698e-10% change) linmin: converged after 4 iterations. iteration 686: trace = 2.578881665343447 (3.64363e-10% change) linmin: converged after 3 iterations. iteration 687: trace = 2.578881665339246 (1.62886e-10% change) large trace change predicted (3.86006e-10%) linmin: converged after 8 iterations. iteration 688: trace = 2.578881665329292 (3.86009e-10% change) linmin: converged after 15 iterations. iteration 689: trace = 2.57888166532241 (2.66845e-10% change) linmin: converged after 4 iterations. iteration 690: trace = 2.578881665319939 (9.58133e-11% change) Finished solving for bands 1 to 10 after 690 iterations. tmfreqs:, 6, 0.5, 0.333333, 0, 0.600925, 0.214081, 0.353217, 0.365001, 0.471977, 0.507165, 0.51079, 0.563894, 0.615052, 0.646178, 0.648357 elapsed time for k point: 16.398466110229492 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.744311706566845 (2.29525% change) linmin: converged after 4 iterations. iteration 2: trace = 2.727853429188773 (0.601527% change) linmin: converged after 4 iterations. iteration 3: trace = 2.712444778499678 (0.566463% change) linmin: converged after 3 iterations. iteration 4: trace = 2.709059882647264 (0.124869% change) large trace change predicted (0.449863%) linmin: converged after 5 iterations. iteration 5: trace = 2.697341162333736 (0.433513% change) linmin: converged after 3 iterations. iteration 6: trace = 2.694430122046091 (0.107981% change) linmin: converged after 4 iterations. iteration 7: trace = 2.689690881339194 (0.176045% change) linmin: converged after 4 iterations. iteration 8: trace = 2.684920914106784 (0.1775% change) linmin: converged after 4 iterations. iteration 9: trace = 2.683317893044006 (0.0597224% change) large trace change predicted (0.123465%) linmin: converged after 4 iterations. iteration 10: trace = 2.680111196554443 (0.119576% change) linmin: converged after 4 iterations. iteration 11: trace = 2.678994185279359 (0.0416865% change) linmin: converged after 4 iterations. iteration 12: trace = 2.677047604712764 (0.0726873% change) linmin: converged after 4 iterations. iteration 13: trace = 2.675749668986879 (0.0484956% change) linmin: converged after 4 iterations. iteration 14: trace = 2.675253512529668 (0.0185444% change) large trace change predicted (0.0689961%) linmin: converged after 5 iterations. iteration 15: trace = 2.673466767247756 (0.0668102% change) linmin: converged after 4 iterations. iteration 16: trace = 2.672597660652589 (0.0325139% change) large trace change predicted (0.0848707%) linmin: converged after 5 iterations. iteration 17: trace = 2.670556349849861 (0.0764085% change) linmin: converged after 5 iterations. iteration 18: trace = 2.669703874082995 (0.0319264% change) linmin: converged after 6 iterations. iteration 19: trace = 2.668900351150444 (0.0301024% change) linmin: converged after 4 iterations. iteration 20: trace = 2.668441764783743 (0.0171841% change) linmin: converged after 4 iterations. iteration 21: trace = 2.667894295966653 (0.0205185% change) linmin: converged after 4 iterations. iteration 22: trace = 2.667712420203308 (0.00681744% change) linmin: converged after 4 iterations. iteration 23: trace = 2.667380646818715 (0.0124374% change) linmin: converged after 4 iterations. iteration 24: trace = 2.667219082742461 (0.00605721% change) large trace change predicted (0.0140638%) linmin: converged after 4 iterations. iteration 25: trace = 2.66684774538052 (0.0139232% change) linmin: converged after 4 iterations. iteration 26: trace = 2.666714603089204 (0.00499262% change) large trace change predicted (0.0115122%) linmin: converged after 4 iterations. iteration 27: trace = 2.666408036339559 (0.0114967% change) linmin: converged after 3 iterations. iteration 28: trace = 2.666220305149554 (0.00704085% change) linmin: converged after 4 iterations. iteration 29: trace = 2.66597312092934 (0.00927139% change) linmin: converged after 4 iterations. iteration 30: trace = 2.665789186993254 (0.00689955% change) linmin: converged after 4 iterations. iteration 31: trace = 2.665604105047465 (0.0069431% change) linmin: converged after 3 iterations. iteration 32: trace = 2.665322393682089 (0.0105689% change) linmin: converged after 3 iterations. iteration 33: trace = 2.665175370989547 (0.00551628% change) linmin: converged after 3 iterations. iteration 34: trace = 2.664933916151045 (0.00906003% change) linmin: converged after 3 iterations. iteration 35: trace = 2.664826985369218 (0.00401259% change) large trace change predicted (0.0092731%) linmin: converged after 4 iterations. iteration 36: trace = 2.664575674215955 (0.00943112% change) linmin: converged after 3 iterations. iteration 37: trace = 2.664486077834961 (0.00336256% change) large trace change predicted (0.00824588%) linmin: converged after 3 iterations. iteration 38: trace = 2.66426321971807 (0.00836437% change) linmin: converged after 3 iterations. iteration 39: trace = 2.664167698140893 (0.00358535% change) large trace change predicted (0.00963697%) linmin: converged after 3 iterations. iteration 40: trace = 2.663907663756214 (0.00976091% change) linmin: converged after 4 iterations. iteration 41: trace = 2.663805028176641 (0.00385289% change) large trace change predicted (0.010414%) linmin: converged after 4 iterations. iteration 42: trace = 2.663525763579706 (0.0104842% change) linmin: converged after 4 iterations. iteration 43: trace = 2.663401608748139 (0.00466141% change) large trace change predicted (0.00944192%) linmin: converged after 4 iterations. iteration 44: trace = 2.663149126389749 (0.00948014% change) linmin: converged after 4 iterations. iteration 45: trace = 2.663044892504995 (0.00391401% change) large trace change predicted (0.00793982%) linmin: converged after 4 iterations. iteration 46: trace = 2.662833377783387 (0.0079429% change) linmin: converged after 4 iterations. iteration 47: trace = 2.662716816016567 (0.00437745% change) linmin: converged after 4 iterations. iteration 48: trace = 2.662492945270663 (0.00840796% change) linmin: converged after 10 iterations. iteration 49: trace = 2.662363198583294 (0.00487325% change) linmin: converged after 3 iterations. iteration 50: trace = 2.662194435901293 (0.00633903% change) linmin: converged after 4 iterations. iteration 51: trace = 2.662058263970111 (0.00511516% change) linmin: converged after 4 iterations. iteration 52: trace = 2.661880036824464 (0.00669531% change) linmin: converged after 3 iterations. iteration 53: trace = 2.661724424549829 (0.00584612% change) linmin: converged after 4 iterations. iteration 54: trace = 2.661571659351845 (0.0057395% change) linmin: converged after 4 iterations. iteration 55: trace = 2.661350624840456 (0.00830501% change) linmin: converged after 4 iterations. iteration 56: trace = 2.661190937801536 (0.00600041% change) linmin: converged after 4 iterations. iteration 57: trace = 2.660967704777387 (0.00838882% change) linmin: converged after 4 iterations. iteration 58: trace = 2.660849318412781 (0.0044491% change) large trace change predicted (0.00999838%) linmin: converged after 4 iterations. iteration 59: trace = 2.660586139879843 (0.00989126% change) linmin: converged after 4 iterations. iteration 60: trace = 2.660492932363067 (0.00350333% change) large trace change predicted (0.00837966%) linmin: converged after 4 iterations. iteration 61: trace = 2.660271734284825 (0.00831452% change) linmin: converged after 4 iterations. iteration 62: trace = 2.660168754141257 (0.00387111% change) large trace change predicted (0.0102877%) linmin: converged after 4 iterations. iteration 63: trace = 2.659896542020582 (0.0102334% change) linmin: converged after 6 iterations. iteration 64: trace = 2.659777432904348 (0.00447806% change) linmin: converged after 6 iterations. iteration 65: trace = 2.659570313256062 (0.00778741% change) linmin: converged after 3 iterations. iteration 66: trace = 2.659406587425108 (0.00615629% change) linmin: converged after 4 iterations. iteration 67: trace = 2.659264423859675 (0.00534583% change) linmin: converged after 4 iterations. iteration 68: trace = 2.659119392291422 (0.00545397% change) linmin: converged after 4 iterations. iteration 69: trace = 2.659023915401236 (0.00359061% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.658915873699179 (0.00406329% change) large trace change predicted (0.016385%) linmin: converged after 3 iterations. iteration 71: trace = 2.65847821219801 (0.0164615% change) linmin: converged after 3 iterations. iteration 72: trace = 2.658118975344289 (0.0135138% change) linmin: converged after 3 iterations. iteration 73: trace = 2.657882986337128 (0.00887844% change) linmin: converged after 3 iterations. iteration 74: trace = 2.657598355694323 (0.0107095% change) linmin: converged after 3 iterations. iteration 75: trace = 2.657541563519207 (0.002137% change) large trace change predicted (0.00462973%) linmin: converged after 3 iterations. iteration 76: trace = 2.657418313642661 (0.00463785% change) linmin: converged after 3 iterations. iteration 77: trace = 2.657346174417507 (0.00271467% change) linmin: converged after 6 iterations. iteration 78: trace = 2.657324770813269 (0.000805454% change) large trace change predicted (0.00211725%) linmin: converged after 3 iterations. iteration 79: trace = 2.657268389099224 (0.00212177% change) linmin: converged after 3 iterations. iteration 80: trace = 2.657245708872471 (0.00085352% change) linmin: converged after 3 iterations. iteration 81: trace = 2.657219660351481 (0.000980288% change) linmin: converged after 3 iterations. iteration 82: trace = 2.657182681218516 (0.00139166% change) linmin: converged after 3 iterations. iteration 83: trace = 2.657168089408553 (0.000549147% change) large trace change predicted (0.00207295%) linmin: converged after 3 iterations. iteration 84: trace = 2.657112955464979 (0.00207494% change) linmin: converged after 3 iterations. iteration 85: trace = 2.657052124539778 (0.00228939% change) linmin: converged after 9 iterations. iteration 86: trace = 2.657017628805025 (0.00129828% change) large trace change predicted (0.0041929%) linmin: converged after 3 iterations. iteration 87: trace = 2.656905955255567 (0.00420305% change) linmin: converged after 4 iterations. iteration 88: trace = 2.656840795769683 (0.00245249% change) linmin: converged after 3 iterations. iteration 89: trace = 2.656716258420769 (0.00468753% change) linmin: converged after 3 iterations. iteration 90: trace = 2.656564762507229 (0.00570254% change) linmin: converged after 3 iterations. iteration 91: trace = 2.656504400467738 (0.00227221% change) large trace change predicted (0.00808324%) linmin: converged after 4 iterations. iteration 92: trace = 2.656289837853747 (0.0080772% change) linmin: converged after 3 iterations. iteration 93: trace = 2.656193473489253 (0.00362785% change) linmin: converged after 4 iterations. iteration 94: trace = 2.656063428358988 (0.00489604% change) linmin: converged after 4 iterations. iteration 95: trace = 2.655889889600818 (0.0065339% change) linmin: converged after 4 iterations. iteration 96: trace = 2.655839142251867 (0.00191077% change) large trace change predicted (0.00421301%) linmin: converged after 3 iterations. iteration 97: trace = 2.655727256189858 (0.00421292% change) linmin: converged after 4 iterations. iteration 98: trace = 2.655616150869089 (0.0041837% change) linmin: converged after 4 iterations. iteration 99: trace = 2.655571209211261 (0.00169234% change) linmin: converged after 3 iterations. iteration 100: trace = 2.655503811953288 (0.00253799% change) linmin: converged after 3 iterations. iteration 101: trace = 2.655488980723592 (0.000558511% change) large trace change predicted (0.00182287%) linmin: converged after 3 iterations. iteration 102: trace = 2.655440595979532 (0.00182208% change) linmin: converged after 4 iterations. iteration 103: trace = 2.655383205452213 (0.00216127% change) linmin: converged after 5 iterations. iteration 104: trace = 2.655357510966723 (0.000967642% change) large trace change predicted (0.00357653%) linmin: converged after 4 iterations. iteration 105: trace = 2.655262493743208 (0.00357839% change) linmin: converged after 4 iterations. iteration 106: trace = 2.655229576881033 (0.00123969% change) large trace change predicted (0.00270501%) linmin: converged after 3 iterations. iteration 107: trace = 2.655157690114051 (0.0027074% change) linmin: converged after 3 iterations. iteration 108: trace = 2.655030930807147 (0.00477419% change) linmin: converged after 4 iterations. iteration 109: trace = 2.654980461725226 (0.0019009% change) large trace change predicted (0.00534967%) linmin: converged after 4 iterations. iteration 110: trace = 2.65483831067593 (0.00535427% change) linmin: converged after 4 iterations. iteration 111: trace = 2.654712145935743 (0.00475237% change) linmin: converged after 4 iterations. iteration 112: trace = 2.654658501141271 (0.00202076% change) linmin: converged after 4 iterations. iteration 113: trace = 2.654566839474135 (0.00345292% change) linmin: converged after 4 iterations. iteration 114: trace = 2.654539506720603 (0.00102966% change) large trace change predicted (0.00383287%) linmin: converged after 4 iterations. iteration 115: trace = 2.654437788715784 (0.00383192% change) linmin: converged after 4 iterations. iteration 116: trace = 2.654364539132505 (0.00275955% change) linmin: converged after 3 iterations. iteration 117: trace = 2.654340189959548 (0.00091733% change) large trace change predicted (0.00275142%) linmin: converged after 3 iterations. iteration 118: trace = 2.654267203206098 (0.00274975% change) linmin: converged after 3 iterations. iteration 119: trace = 2.654255160348953 (0.000453718% change) large trace change predicted (0.00136354%) linmin: converged after 3 iterations. iteration 120: trace = 2.654218987146353 (0.00136285% change) linmin: converged after 3 iterations. iteration 121: trace = 2.654200862719402 (0.000682856% change) linmin: converged after 4 iterations. iteration 122: trace = 2.65419338921621 (0.000281573% change) large trace change predicted (0.000758533%) linmin: converged after 5 iterations. iteration 123: trace = 2.65417325754406 (0.000758488% change) linmin: converged after 4 iterations. iteration 124: trace = 2.654167283770966 (0.000225071% change) linmin: converged after 3 iterations. iteration 125: trace = 2.654157924388185 (0.00035263% change) linmin: converged after 4 iterations. iteration 126: trace = 2.654147428429356 (0.000395454% change) linmin: converged after 4 iterations. iteration 127: trace = 2.65414356521363 (0.000145554% change) large trace change predicted (0.000376496%) linmin: converged after 4 iterations. iteration 128: trace = 2.654133572243902 (0.000376505% change) linmin: converged after 3 iterations. iteration 129: trace = 2.654120961518042 (0.000475136% change) linmin: converged after 4 iterations. iteration 130: trace = 2.654109191835844 (0.00044345% change) linmin: converged after 3 iterations. iteration 131: trace = 2.654085880836995 (0.000878302% change) linmin: converged after 6 iterations. iteration 132: trace = 2.654077837930282 (0.000303039% change) large trace change predicted (0.000990428%) linmin: converged after 3 iterations. iteration 133: trace = 2.654051536673845 (0.00099098% change) linmin: converged after 5 iterations. iteration 134: trace = 2.654040116195589 (0.000430304% change) linmin: converged after 3 iterations. iteration 135: trace = 2.654033618699459 (0.000244816% change) linmin: converged after 3 iterations. iteration 136: trace = 2.654022217430992 (0.000429584% change) linmin: converged after 3 iterations. iteration 137: trace = 2.654018101221194 (0.000155093% change) large trace change predicted (0.00048083%) linmin: converged after 3 iterations. iteration 138: trace = 2.65400533905391 (0.000480863% change) linmin: converged after 3 iterations. iteration 139: trace = 2.65399702905286 (0.000313112% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.653995088459377 (7.31197e-05% change) linmin: converged after 4 iterations. iteration 141: trace = 2.653992473173823 (9.85415e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.6539901550025 (8.73466e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.653988588755459 (5.90148e-05% change) linmin: converged after 4 iterations. iteration 144: trace = 2.653985747965276 (0.000107039% change) linmin: converged after 5 iterations. iteration 145: trace = 2.653984648480818 (4.14277e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.6539827442467 (7.175e-05% change) linmin: converged after 4 iterations. iteration 147: trace = 2.653979604141536 (0.000118317% change) linmin: converged after 5 iterations. iteration 148: trace = 2.653979060079978 (2.04998e-05% change) large trace change predicted (9.46791e-05%) linmin: converged after 3 iterations. iteration 149: trace = 2.653976547210318 (9.46831e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.653975158224627 (5.2336e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.653973699093475 (5.49791e-05% change) large trace change predicted (0.000111656%) linmin: converged after 3 iterations. iteration 152: trace = 2.65397073580476 (0.000111655% change) linmin: converged after 3 iterations. iteration 153: trace = 2.653968437943291 (8.65821e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 2.653966790958189 (6.20575e-05% change) large trace change predicted (0.000206077%) linmin: converged after 5 iterations. iteration 155: trace = 2.653961321414043 (0.00020609% change) linmin: converged after 3 iterations. iteration 156: trace = 2.653959586308098 (6.5378e-05% change) large trace change predicted (0.000249099%) linmin: converged after 4 iterations. iteration 157: trace = 2.653952975410349 (0.000249096% change) linmin: converged after 4 iterations. iteration 158: trace = 2.653947557440701 (0.000204147% change) linmin: converged after 3 iterations. iteration 159: trace = 2.653944316216653 (0.000122128% change) large trace change predicted (0.000321194%) linmin: converged after 4 iterations. iteration 160: trace = 2.653935789769726 (0.000321275% change) linmin: converged after 4 iterations. iteration 161: trace = 2.653926974756279 (0.000332149% change) linmin: converged after 4 iterations. iteration 162: trace = 2.653925366529978 (6.0598e-05% change) large trace change predicted (0.000210672%) linmin: converged after 4 iterations. iteration 163: trace = 2.653919774884092 (0.000210694% change) linmin: converged after 4 iterations. iteration 164: trace = 2.653917952098645 (6.86828e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.653915878528639 (7.81324e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.653913457863796 (9.12111e-05% change) linmin: converged after 3 iterations. iteration 167: trace = 2.653912728937688 (2.74661e-05% change) large trace change predicted (0.000100225%) linmin: converged after 5 iterations. iteration 168: trace = 2.653910068832205 (0.000100233% change) linmin: converged after 4 iterations. iteration 169: trace = 2.653908236923407 (6.90268e-05% change) linmin: converged after 3 iterations. iteration 170: trace = 2.653907655542546 (2.19066e-05% change) large trace change predicted (7.38394e-05%) linmin: converged after 8 iterations. iteration 171: trace = 2.653905696182572 (7.38293e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.653904101524922 (6.00872e-05% change) linmin: converged after 4 iterations. iteration 173: trace = 2.65390359935577 (1.89219e-05% change) large trace change predicted (6.97395e-05%) linmin: converged after 4 iterations. iteration 174: trace = 2.653901748740724 (6.97318e-05% change) linmin: converged after 7 iterations. iteration 175: trace = 2.653900309093713 (5.42464e-05% change) linmin: converged after 4 iterations. iteration 176: trace = 2.653899661043319 (2.44188e-05% change) large trace change predicted (8.21436e-05%) linmin: converged after 3 iterations. iteration 177: trace = 2.653897481265382 (8.21349e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.65389478450565 (0.000101615% change) linmin: converged after 3 iterations. iteration 179: trace = 2.653893725850911 (3.98906e-05% change) large trace change predicted (0.000173259%) linmin: converged after 4 iterations. iteration 180: trace = 2.653889127603079 (0.000173264% change) linmin: converged after 3 iterations. iteration 181: trace = 2.653888302725084 (3.10819e-05% change) large trace change predicted (9.92913e-05%) linmin: converged after 5 iterations. iteration 182: trace = 2.653885667431768 (9.92994e-05% change) linmin: converged after 4 iterations. iteration 183: trace = 2.653883594961416 (7.8092e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.653882451031205 (4.3104e-05% change) linmin: converged after 3 iterations. iteration 185: trace = 2.653880513738066 (7.29985e-05% change) linmin: converged after 3 iterations. iteration 186: trace = 2.653880029985519 (1.82281e-05% change) linmin: converged after 2 iterations. iteration 187: trace = 2.653879272951855 (2.85255e-05% change) linmin: converged after 4 iterations. iteration 188: trace = 2.653878603134779 (2.52392e-05% change) linmin: converged after 3 iterations. iteration 189: trace = 2.653878402301266 (7.56755e-06% change) large trace change predicted (1.8864e-05%) linmin: converged after 3 iterations. iteration 190: trace = 2.653877901679897 (1.88638e-05% change) linmin: converged after 4 iterations. iteration 191: trace = 2.653877422322583 (1.80625e-05% change) linmin: converged after 2 iterations. iteration 192: trace = 2.653877311013573 (4.1942e-06% change) large trace change predicted (1.21075e-05%) linmin: converged after 8 iterations. iteration 193: trace = 2.653876989698607 (1.21074e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.653876699362455 (1.09401e-05% change) linmin: converged after 4 iterations. iteration 195: trace = 2.653876504482589 (7.34322e-06% change) large trace change predicted (1.82666e-05%) linmin: converged after 3 iterations. iteration 196: trace = 2.653876019727643 (1.82659e-05% change) linmin: converged after 3 iterations. iteration 197: trace = 2.653875742474495 (1.04471e-05% change) large trace change predicted (2.56597e-05%) linmin: converged after 3 iterations. iteration 198: trace = 2.653875061536108 (2.56583e-05% change) linmin: converged after 4 iterations. iteration 199: trace = 2.653874148251663 (3.44132e-05% change) linmin: converged after 3 iterations. iteration 200: trace = 2.653873609274898 (2.03091e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.653872934441708 (2.54282e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.653871896054025 (3.91273e-05% change) linmin: converged after 11 iterations. iteration 203: trace = 2.653871548124646 (1.31103e-05% change) large trace change predicted (3.26431e-05%) linmin: converged after 3 iterations. iteration 204: trace = 2.653870681752589 (3.26456e-05% change) linmin: converged after 5 iterations. iteration 205: trace = 2.653870113180877 (2.14242e-05% change) linmin: converged after 8 iterations. iteration 206: trace = 2.653869969355715 (5.41945e-06% change) large trace change predicted (1.28858e-05%) linmin: converged after 5 iterations. iteration 207: trace = 2.65386962738419 (1.28858e-05% change) linmin: converged after 4 iterations. iteration 208: trace = 2.653869347066689 (1.05626e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.653869078666865 (1.01135e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 210: trace = 2.653868929278431 (5.62908e-06% change) linmin: converged after 3 iterations. iteration 211: trace = 2.653868854720528 (2.8094e-06% change) linmin: converged after 4 iterations. iteration 212: trace = 2.653868739621619 (4.33702e-06% change) linmin: converged after 4 iterations. iteration 213: trace = 2.653868664026334 (2.84849e-06% change) large trace change predicted (6.99836e-06%) linmin: converged after 3 iterations. iteration 214: trace = 2.653868478285486 (6.99887e-06% change) linmin: converged after 2 iterations. iteration 215: trace = 2.653868240868427 (8.94608e-06% change) linmin: converged after 3 iterations. iteration 216: trace = 2.653868168188466 (2.73864e-06% change) large trace change predicted (1.06412e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.653867885773913 (1.06416e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.653867629580051 (9.6536e-06% change) linmin: converged after 4 iterations. iteration 219: trace = 2.6538674425532 (7.04733e-06% change) large trace change predicted (1.43941e-05%) linmin: converged after 2 iterations. iteration 220: trace = 2.653867060548923 (1.43942e-05% change) linmin: converged after 5 iterations. iteration 221: trace = 2.653866955046615 (3.97542e-06% change) large trace change predicted (1.13656e-05%) linmin: converged after 2 iterations. iteration 222: trace = 2.65386665341414 (1.13658e-05% change) linmin: converged after 2 iterations. iteration 223: trace = 2.65386635665272 (1.11822e-05% change) linmin: converged after 2 iterations. iteration 224: trace = 2.653866275659121 (3.05191e-06% change) large trace change predicted (6.7759e-06%) linmin: converged after 8 iterations. iteration 225: trace = 2.653866095841 (6.7757e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 2.653865950839495 (5.46378e-06% change) linmin: converged after 16 iterations. iteration 227: trace = 2.653865911375441 (1.48704e-06% change) large trace change predicted (5.25307e-06%) linmin: converged after 8 iterations. iteration 228: trace = 2.653865771971354 (5.25287e-06% change) linmin: converged after 30 iterations. iteration 229: trace = 2.653865714385018 (2.1699e-06% change) linmin: converged after 12 iterations. iteration 230: trace = 2.653865636870298 (2.92082e-06% change) linmin: converged after 3 iterations. iteration 231: trace = 2.653865565556158 (2.68718e-06% change) linmin: converged after 8 iterations. iteration 232: trace = 2.653865524729734 (1.53838e-06% change) linmin: converged after 4 iterations. iteration 233: trace = 2.653865447933593 (2.89375e-06% change) linmin: converged after 3 iterations. iteration 234: trace = 2.653865309756233 (5.20665e-06% change) linmin: converged after 3 iterations. iteration 235: trace = 2.653865266341062 (1.63592e-06% change) large trace change predicted (5.70743e-06%) linmin: converged after 7 iterations. iteration 236: trace = 2.65386511487547 (5.70736e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.653864885071656 (8.65921e-06% change) linmin: converged after 4 iterations. iteration 238: trace = 2.653864825211013 (2.2556e-06% change) large trace change predicted (1.44429e-05%) linmin: converged after 3 iterations. iteration 239: trace = 2.653864441923401 (1.44426e-05% change) linmin: converged after 2 iterations. iteration 240: trace = 2.653864126069366 (1.19017e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.653864012362174 (4.28459e-06% change) large trace change predicted (9.19425e-06%) linmin: converged after 2 iterations. iteration 242: trace = 2.653863768346315 (9.19474e-06% change) linmin: converged after 13 iterations. iteration 243: trace = 2.653863532230602 (8.89706e-06% change) linmin: converged after 2 iterations. iteration 244: trace = 2.653863422465232 (4.13606e-06% change) linmin: converged after 3 iterations. iteration 245: trace = 2.653863204777629 (8.20267e-06% change) linmin: converged after 2 iterations. iteration 246: trace = 2.653863147350654 (2.1639e-06% change) large trace change predicted (6.36488e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.653862978430967 (6.36505e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.653862840031454 (5.21502e-06% change) linmin: converged after 5 iterations. iteration 249: trace = 2.653862795682846 (1.6711e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.653862736730642 (2.22137e-06% change) linmin: converged after 4 iterations. iteration 251: trace = 2.653862665750763 (2.67459e-06% change) linmin: converged after 3 iterations. iteration 252: trace = 2.653862644330882 (8.07121e-07% change) large trace change predicted (1.69537e-06%) linmin: converged after 7 iterations. iteration 253: trace = 2.653862599339077 (1.69533e-06% change) linmin: converged after 3 iterations. iteration 254: trace = 2.653862557331928 (1.58287e-06% change) linmin: converged after 3 iterations. iteration 255: trace = 2.653862542110703 (5.7355e-07% change) large trace change predicted (2.41703e-06%) linmin: converged after 3 iterations. iteration 256: trace = 2.653862477967833 (2.41696e-06% change) linmin: converged after 3 iterations. iteration 257: trace = 2.653862429244086 (1.83596e-06% change) linmin: converged after 3 iterations. iteration 258: trace = 2.653862355632653 (2.77375e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 2.653862240713912 (4.33025e-06% change) linmin: converged after 23 iterations. iteration 260: trace = 2.653862203252502 (1.41158e-06% change) large trace change predicted (3.1063e-06%) linmin: converged after 11 iterations. iteration 261: trace = 2.653862120817853 (3.10621e-06% change) linmin: converged after 22 iterations. iteration 262: trace = 2.653862016477676 (3.93164e-06% change) linmin: converged after 2 iterations. iteration 263: trace = 2.653861991572831 (9.38438e-07% change) large trace change predicted (3.48193e-06%) linmin: converged after 2 iterations. iteration 264: trace = 2.653861899166083 (3.48197e-06% change) linmin: converged after 4 iterations. iteration 265: trace = 2.653861840486549 (2.2111e-06% change) linmin: converged after 10 iterations. iteration 266: trace = 2.653861814272776 (9.8776e-07% change) large trace change predicted (2.04508e-06%) linmin: converged after 5 iterations. iteration 267: trace = 2.653861759999947 (2.04505e-06% change) linmin: converged after 2 iterations. iteration 268: trace = 2.653861729712912 (1.14124e-06% change) linmin: converged after 7 iterations. iteration 269: trace = 2.653861713877479 (5.96694e-07% change) linmin: converged after 4 iterations. iteration 270: trace = 2.653861685810446 (1.05759e-06% change) linmin: converged after 9 iterations. iteration 271: trace = 2.653861676306803 (3.58106e-07% change) linmin: converged after 2 iterations. iteration 272: trace = 2.653861664510934 (4.44479e-07% change) linmin: converged after 2 iterations. iteration 273: trace = 2.653861651288211 (4.98245e-07% change) linmin: converged after 3 iterations. iteration 274: trace = 2.653861645654054 (2.123e-07% change) linmin: converged after 9 iterations. iteration 275: trace = 2.653861637341998 (3.13206e-07% change) linmin: converged after 2 iterations. iteration 276: trace = 2.653861624091749 (4.99282e-07% change) linmin: converged after 9 iterations. iteration 277: trace = 2.653861619920205 (1.57188e-07% change) large trace change predicted (3.58256e-07%) linmin: converged after 7 iterations. iteration 278: trace = 2.653861610412518 (3.58259e-07% change) large trace change predicted (1.10295e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.653861581142976 (1.1029e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 2.653861568519023 (4.75682e-07% change) linmin: converged after 2 iterations. iteration 281: trace = 2.653861552923175 (5.87666e-07% change) linmin: converged after 3 iterations. iteration 282: trace = 2.653861550081947 (1.0706e-07% change) large trace change predicted (3.89619e-07%) linmin: converged after 2 iterations. iteration 283: trace = 2.653861539741979 (3.8962e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 2.653861531354648 (3.16043e-07% change) linmin: converged after 2 iterations. iteration 285: trace = 2.65386152881386 (9.57393e-08% change) large trace change predicted (4.06609e-07%) linmin: converged after 4 iterations. iteration 286: trace = 2.653861518023042 (4.06608e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.653861510104847 (2.98365e-07% change) linmin: converged after 2 iterations. iteration 288: trace = 2.653861504210941 (2.22088e-07% change) large trace change predicted (4.8236e-07%) linmin: converged after 3 iterations. iteration 289: trace = 2.653861491409842 (4.82357e-07% change) linmin: converged after 30 iterations. iteration 290: trace = 2.653861478284371 (4.9458e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.653861467601732 (4.02532e-07% change) large trace change predicted (9.49786e-07%) linmin: converged after 2 iterations. iteration 292: trace = 2.653861442395627 (9.4979e-07% change) linmin: converged after 3 iterations. iteration 293: trace = 2.653861432703633 (3.65203e-07% change) large trace change predicted (9.25801e-07%) linmin: converged after 2 iterations. iteration 294: trace = 2.653861408134078 (9.25804e-07% change) linmin: converged after 4 iterations. iteration 295: trace = 2.653861380954655 (1.02415e-06% change) linmin: converged after 2 iterations. iteration 296: trace = 2.653861370695237 (3.86585e-07% change) large trace change predicted (9.44367e-07%) linmin: converged after 22 iterations. iteration 297: trace = 2.653861345633382 (9.44354e-07% change) linmin: converged after 2 iterations. iteration 298: trace = 2.653861318083348 (1.03811e-06% change) linmin: converged after 23 iterations. iteration 299: trace = 2.653861309051124 (3.40343e-07% change) large trace change predicted (1.07811e-06%) linmin: converged after 3 iterations. iteration 300: trace = 2.653861280439376 (1.07812e-06% change) linmin: converged after 6 iterations. iteration 301: trace = 2.653861270422227 (3.77456e-07% change) linmin: converged after 5 iterations. iteration 302: trace = 2.653861257326721 (4.93451e-07% change) linmin: converged after 7 iterations. iteration 303: trace = 2.65386123993884 (6.55192e-07% change) linmin: converged after 5 iterations. iteration 304: trace = 2.653861237092904 (1.07238e-07% change) large trace change predicted (4.3725e-07%) linmin: converged after 2 iterations. iteration 305: trace = 2.653861225488783 (4.37254e-07% change) linmin: converged after 16 iterations. iteration 306: trace = 2.653861218875002 (2.49214e-07% change) linmin: converged after 4 iterations. iteration 307: trace = 2.653861216125898 (1.03589e-07% change) large trace change predicted (3.37229e-07%) linmin: converged after 4 iterations. iteration 308: trace = 2.653861207176281 (3.3723e-07% change) linmin: converged after 2 iterations. iteration 309: trace = 2.653861195835507 (4.27331e-07% change) linmin: converged after 4 iterations. iteration 310: trace = 2.653861185390587 (3.93574e-07% change) linmin: converged after 20 iterations. iteration 311: trace = 2.653861181517468 (1.45943e-07% change) large trace change predicted (4.49566e-07%) linmin: converged after 12 iterations. iteration 312: trace = 2.653861169586719 (4.49562e-07% change) linmin: converged after 3 iterations. iteration 313: trace = 2.653861159056564 (3.96786e-07% change) linmin: converged after 4 iterations. iteration 314: trace = 2.653861150358439 (3.27754e-07% change) linmin: converged after 9 iterations. iteration 315: trace = 2.653861134494232 (5.97778e-07% change) linmin: converged after 6 iterations. iteration 316: trace = 2.653861129798115 (1.76954e-07% change) large trace change predicted (5.85662e-07%) linmin: converged after 2 iterations. iteration 317: trace = 2.653861114255452 (5.85662e-07% change) linmin: converged after 4 iterations. iteration 318: trace = 2.653861101105498 (4.95503e-07% change) linmin: converged after 7 iterations. iteration 319: trace = 2.653861097243125 (1.45538e-07% change) large trace change predicted (4.93621e-07%) linmin: converged after 2 iterations. iteration 320: trace = 2.653861084143064 (4.93623e-07% change) linmin: converged after 4 iterations. iteration 321: trace = 2.65386107569902 (3.1818e-07% change) linmin: converged after 3 iterations. iteration 322: trace = 2.65386106993409 (2.17228e-07% change) linmin: converged after 10 iterations. iteration 323: trace = 2.653861063492937 (2.42709e-07% change) linmin: converged after 6 iterations. iteration 324: trace = 2.653861060759012 (1.03017e-07% change) linmin: converged after 4 iterations. iteration 325: trace = 2.65386105919477 (5.89421e-08% change) linmin: converged after 3 iterations. iteration 326: trace = 2.653861056255077 (1.1077e-07% change) linmin: converged after 3 iterations. iteration 327: trace = 2.653861055133477 (4.22629e-08% change) linmin: converged after 3 iterations. iteration 328: trace = 2.653861053319638 (6.83472e-08% change) linmin: converged after 3 iterations. iteration 329: trace = 2.653861051562423 (6.62135e-08% change) linmin: converged after 4 iterations. iteration 330: trace = 2.653861050695187 (3.26783e-08% change) large trace change predicted (7.69361e-08%) linmin: converged after 2 iterations. iteration 331: trace = 2.65386104865341 (7.69361e-08% change) linmin: converged after 6 iterations. iteration 332: trace = 2.653861046058223 (9.77891e-08% change) linmin: converged after 7 iterations. iteration 333: trace = 2.65386104531301 (2.80803e-08% change) large trace change predicted (1.40742e-07%) linmin: converged after 4 iterations. iteration 334: trace = 2.653861041577919 (1.40742e-07% change) linmin: converged after 3 iterations. iteration 335: trace = 2.653861040199561 (5.19379e-08% change) large trace change predicted (1.39089e-07%) linmin: converged after 2 iterations. iteration 336: trace = 2.653861036508313 (1.3909e-07% change) linmin: converged after 3 iterations. iteration 337: trace = 2.653861031266001 (1.97535e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.653861027833178 (1.29352e-07% change) linmin: converged after 4 iterations. iteration 339: trace = 2.653861026543587 (4.8593e-08% change) large trace change predicted (1.67193e-07%) linmin: converged after 2 iterations. iteration 340: trace = 2.653861022106503 (1.67194e-07% change) linmin: converged after 2 iterations. iteration 341: trace = 2.653861019531463 (9.703e-08% change) linmin: converged after 2 iterations. iteration 342: trace = 2.653861018135178 (5.26133e-08% change) linmin: converged after 12 iterations. iteration 343: trace = 2.653861016177038 (7.37846e-08% change) linmin: converged after 2 iterations. iteration 344: trace = 2.653861014648154 (5.76098e-08% change) linmin: converged after 4 iterations. iteration 345: trace = 2.653861013532381 (4.20434e-08% change) linmin: converged after 6 iterations. iteration 346: trace = 2.653861011643799 (7.11635e-08% change) linmin: converged after 22 iterations. iteration 347: trace = 2.653861011277629 (1.37976e-08% change) large trace change predicted (4.42078e-08%) linmin: converged after 4 iterations. iteration 348: trace = 2.653861010104421 (4.42076e-08% change) linmin: converged after 33 iterations. iteration 349: trace = 2.653861008396412 (6.43594e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.653861007754014 (2.42062e-08% change) linmin: converged after 8 iterations. iteration 351: trace = 2.653861006535373 (4.59195e-08% change) linmin: converged after 4 iterations. iteration 352: trace = 2.653861006230148 (1.15012e-08% change) large trace change predicted (2.70606e-08%) linmin: converged after 4 iterations. iteration 353: trace = 2.653861005511998 (2.70606e-08% change) linmin: converged after 2 iterations. iteration 354: trace = 2.653861004289522 (4.6064e-08% change) linmin: converged after 3 iterations. iteration 355: trace = 2.653861003843425 (1.68094e-08% change) large trace change predicted (5.15511e-08%) linmin: converged after 3 iterations. iteration 356: trace = 2.65386100247533 (5.15511e-08% change) linmin: converged after 3 iterations. iteration 357: trace = 2.653861000928064 (5.83025e-08% change) linmin: converged after 2 iterations. iteration 358: trace = 2.653861000299797 (2.36737e-08% change) large trace change predicted (7.03634e-08%) linmin: converged after 4 iterations. iteration 359: trace = 2.653860998432446 (7.03635e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.653860996431212 (7.54084e-08% change) linmin: converged after 31 iterations. iteration 361: trace = 2.653860995858524 (2.15794e-08% change) large trace change predicted (7.98723e-08%) linmin: converged after 3 iterations. iteration 362: trace = 2.653860993738825 (7.98723e-08% change) linmin: converged after 3 iterations. iteration 363: trace = 2.653860991674018 (7.78039e-08% change) linmin: converged after 4 iterations. iteration 364: trace = 2.653860991143573 (1.99877e-08% change) large trace change predicted (6.45968e-08%) linmin: converged after 3 iterations. iteration 365: trace = 2.653860989429274 (6.45964e-08% change) linmin: converged after 3 iterations. iteration 366: trace = 2.653860988471134 (3.61036e-08% change) linmin: converged after 20 iterations. iteration 367: trace = 2.653860988073512 (1.49828e-08% change) large trace change predicted (3.7511e-08%) linmin: converged after 3 iterations. iteration 368: trace = 2.653860987078027 (3.75108e-08% change) linmin: converged after 3 iterations. iteration 369: trace = 2.653860986528396 (2.07106e-08% change) linmin: converged after 21 iterations. iteration 370: trace = 2.653860986091291 (1.64705e-08% change) linmin: converged after 23 iterations. iteration 371: trace = 2.653860985561272 (1.99716e-08% change) linmin: converged after 29 iterations. iteration 372: trace = 2.653860985383989 (6.68016e-09% change) large trace change predicted (1.83114e-08%) linmin: converged after 8 iterations. iteration 373: trace = 2.653860984898031 (1.83114e-08% change) linmin: converged after 3 iterations. iteration 374: trace = 2.653860983994281 (3.40542e-08% change) linmin: converged after 27 iterations. iteration 375: trace = 2.653860983793793 (7.55456e-09% change) large trace change predicted (3.92558e-08%) linmin: converged after 17 iterations. iteration 376: trace = 2.653860982751998 (3.92558e-08% change) linmin: converged after 3 iterations. iteration 377: trace = 2.653860981700241 (3.96312e-08% change) linmin: converged after 3 iterations. iteration 378: trace = 2.653860981342773 (1.34697e-08% change) large trace change predicted (7.87387e-08%) linmin: converged after 2 iterations. iteration 379: trace = 2.653860979253156 (7.87387e-08% change) linmin: converged after 4 iterations. iteration 380: trace = 2.653860977426804 (6.88187e-08% change) linmin: converged after 31 iterations. iteration 381: trace = 2.653860976150081 (4.81081e-08% change) linmin: converged after 2 iterations. iteration 382: trace = 2.653860975561217 (2.2189e-08% change) large trace change predicted (6.88371e-08%) linmin: converged after 2 iterations. iteration 383: trace = 2.653860973734375 (6.88371e-08% change) linmin: converged after 4 iterations. iteration 384: trace = 2.653860973144445 (2.22291e-08% change) large trace change predicted (4.78977e-08%) linmin: converged after 3 iterations. iteration 385: trace = 2.653860971873308 (4.78976e-08% change) linmin: converged after 18 iterations. iteration 386: trace = 2.653860970464415 (5.30884e-08% change) linmin: converged after 4 iterations. iteration 387: trace = 2.653860970196491 (1.00956e-08% change) large trace change predicted (2.94344e-08%) linmin: converged after 2 iterations. iteration 388: trace = 2.653860969415343 (2.94344e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.653860969163304 (9.4971e-09% change) linmin: converged after 3 iterations. iteration 390: trace = 2.653860968721931 (1.66313e-08% change) linmin: converged after 19 iterations. iteration 391: trace = 2.653860968230719 (1.85093e-08% change) linmin: converged after 4 iterations. iteration 392: trace = 2.653860967829862 (1.51046e-08% change) linmin: converged after 13 iterations. iteration 393: trace = 2.65386096771474 (4.33791e-09% change) large trace change predicted (1.12064e-08%) linmin: converged after 21 iterations. iteration 394: trace = 2.653860967417339 (1.12064e-08% change) linmin: converged after 4 iterations. iteration 395: trace = 2.653860967038607 (1.4271e-08% change) linmin: converged after 8 iterations. iteration 396: trace = 2.653860966876808 (6.09674e-09% change) large trace change predicted (1.97519e-08%) linmin: converged after 6 iterations. iteration 397: trace = 2.653860966352622 (1.97518e-08% change) linmin: converged after 2 iterations. iteration 398: trace = 2.653860965948724 (1.52193e-08% change) linmin: converged after 22 iterations. iteration 399: trace = 2.653860965594904 (1.33323e-08% change) linmin: converged after 13 iterations. iteration 400: trace = 2.653860965067367 (1.98781e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.653860964527554 (2.03407e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.653860964359456 (6.33409e-09% change) large trace change predicted (2.74226e-08%) linmin: converged after 14 iterations. iteration 403: trace = 2.653860963631696 (2.74227e-08% change) linmin: converged after 5 iterations. iteration 404: trace = 2.653860963365124 (1.00447e-08% change) linmin: converged after 2 iterations. iteration 405: trace = 2.653860963154491 (7.93685e-09% change) large trace change predicted (1.78088e-08%) linmin: converged after 4 iterations. iteration 406: trace = 2.653860962681867 (1.78089e-08% change) linmin: converged after 6 iterations. iteration 407: trace = 2.653860962585241 (3.64095e-09% change) large trace change predicted (1.08445e-08%) linmin: converged after 7 iterations. iteration 408: trace = 2.653860962297444 (1.08444e-08% change) linmin: converged after 3 iterations. iteration 409: trace = 2.653860962043317 (9.57574e-09% change) linmin: converged after 15 iterations. iteration 410: trace = 2.653860961998546 (1.68702e-09% change) large trace change predicted (6.55028e-09%) linmin: converged after 6 iterations. iteration 411: trace = 2.653860961824712 (6.55022e-09% change) linmin: converged after 4 iterations. iteration 412: trace = 2.653860961729741 (3.57862e-09% change) linmin: converged after 7 iterations. iteration 413: trace = 2.653860961681473 (1.81877e-09% change) large trace change predicted (4.09145e-09%) linmin: converged after 16 iterations. iteration 414: trace = 2.65386096157289 (4.09152e-09% change) linmin: converged after 4 iterations. iteration 415: trace = 2.653860961525542 (1.78411e-09% change) linmin: converged after 6 iterations. iteration 416: trace = 2.653860961441487 (3.16725e-09% change) linmin: converged after 15 iterations. iteration 417: trace = 2.653860961369957 (2.69531e-09% change) linmin: converged after 7 iterations. iteration 418: trace = 2.653860961265035 (3.95359e-09% change) linmin: converged after 5 iterations. iteration 419: trace = 2.653860961233102 (1.20325e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.65386096120336 (1.12069e-09% change) large trace change predicted (3.0261e-09%) linmin: converged after 5 iterations. iteration 421: trace = 2.653860961123051 (3.02612e-09% change) linmin: converged after 6 iterations. iteration 422: trace = 2.653860961055666 (2.53916e-09% change) linmin: converged after 14 iterations. iteration 423: trace = 2.653860961002318 (2.01019e-09% change) linmin: converged after 3 iterations. iteration 424: trace = 2.65386096095672 (1.71817e-09% change) linmin: converged after 4 iterations. iteration 425: trace = 2.653860960878584 (2.94426e-09% change) linmin: converged after 4 iterations. iteration 426: trace = 2.653860960854664 (9.01311e-10% change) large trace change predicted (3.79323e-09%) linmin: converged after 15 iterations. iteration 427: trace = 2.653860960753998 (3.79321e-09% change) linmin: converged after 13 iterations. iteration 428: trace = 2.653860960664026 (3.3902e-09% change) linmin: converged after 4 iterations. iteration 429: trace = 2.653860960621721 (1.59412e-09% change) large trace change predicted (6.53699e-09%) linmin: converged after 12 iterations. iteration 430: trace = 2.653860960448237 (6.53704e-09% change) linmin: converged after 3 iterations. iteration 431: trace = 2.653860960384427 (2.40443e-09% change) large trace change predicted (5.68384e-09%) linmin: converged after 3 iterations. iteration 432: trace = 2.653860960233586 (5.68382e-09% change) linmin: converged after 2 iterations. iteration 433: trace = 2.653860960021614 (7.98731e-09% change) linmin: converged after 16 iterations. iteration 434: trace = 2.653860959944636 (2.9006e-09% change) large trace change predicted (5.95357e-09%) linmin: converged after 2 iterations. iteration 435: trace = 2.653860959786638 (5.95348e-09% change) linmin: converged after 18 iterations. iteration 436: trace = 2.653860959587209 (7.51469e-09% change) linmin: converged after 6 iterations. iteration 437: trace = 2.653860959529844 (2.16158e-09% change) large trace change predicted (7.98842e-09%) linmin: converged after 4 iterations. iteration 438: trace = 2.65386095931784 (7.9885e-09% change) linmin: converged after 3 iterations. iteration 439: trace = 2.653860959204592 (4.26731e-09% change) linmin: converged after 8 iterations. iteration 440: trace = 2.653860959125839 (2.96747e-09% change) linmin: converged after 19 iterations. iteration 441: trace = 2.653860958990546 (5.09797e-09% change) linmin: converged after 6 iterations. iteration 442: trace = 2.653860958928653 (2.33219e-09% change) linmin: converged after 14 iterations. iteration 443: trace = 2.653860958835818 (3.49811e-09% change) linmin: converged after 22 iterations. iteration 444: trace = 2.653860958739894 (3.61451e-09% change) linmin: converged after 4 iterations. iteration 445: trace = 2.653860958691338 (1.82961e-09% change) linmin: converged after 10 iterations. iteration 446: trace = 2.653860958669929 (8.06732e-10% change) large trace change predicted (3.09935e-09%) linmin: converged after 15 iterations. iteration 447: trace = 2.653860958587675 (3.09938e-09% change) linmin: converged after 9 iterations. iteration 448: trace = 2.653860958526129 (2.31914e-09% change) linmin: converged after 5 iterations. iteration 449: trace = 2.653860958498604 (1.03714e-09% change) large trace change predicted (2.66022e-09%) linmin: converged after 16 iterations. iteration 450: trace = 2.653860958428007 (2.66019e-09% change) linmin: converged after 19 iterations. iteration 451: trace = 2.65386095832999 (3.69336e-09% change) linmin: converged after 4 iterations. iteration 452: trace = 2.653860958244165 (3.23397e-09% change) linmin: converged after 21 iterations. iteration 453: trace = 2.65386095817442 (2.62804e-09% change) linmin: converged after 4 iterations. iteration 454: trace = 2.653860958047139 (4.79608e-09% change) linmin: converged after 3 iterations. iteration 455: trace = 2.653860958009575 (1.41544e-09% change) large trace change predicted (4.03173e-09%) linmin: converged after 9 iterations. iteration 456: trace = 2.653860957902578 (4.03175e-09% change) linmin: converged after 16 iterations. iteration 457: trace = 2.653860957804056 (3.71242e-09% change) linmin: converged after 6 iterations. iteration 458: trace = 2.653860957777444 (1.00273e-09% change) large trace change predicted (3.00003e-09%) linmin: converged after 4 iterations. iteration 459: trace = 2.653860957697827 (3.00005e-09% change) linmin: converged after 3 iterations. iteration 460: trace = 2.653860957604774 (3.50633e-09% change) linmin: converged after 10 iterations. iteration 461: trace = 2.65386095759052 (5.37118e-10% change) large trace change predicted (1.62956e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.653860957547272 (1.62961e-09% change) linmin: converged after 3 iterations. iteration 463: trace = 2.653860957508931 (1.44474e-09% change) linmin: converged after 14 iterations. iteration 464: trace = 2.653860957501165 (2.92606e-10% change) large trace change predicted (1.00201e-09%) linmin: converged after 4 iterations. iteration 465: trace = 2.653860957474572 (1.00208e-09% change) linmin: converged after 7 iterations. iteration 466: trace = 2.653860957459918 (5.52145e-10% change) linmin: converged after 15 iterations. iteration 467: trace = 2.653860957450697 (3.47459e-10% change) linmin: converged after 5 iterations. iteration 468: trace = 2.653860957437653 (4.91536e-10% change) linmin: converged after 6 iterations. iteration 469: trace = 2.653860957429698 (2.99751e-10% change) linmin: converged after 6 iterations. iteration 470: trace = 2.653860957415155 (5.47979e-10% change) linmin: converged after 2 iterations. iteration 471: trace = 2.653860957395375 (7.45336e-10% change) linmin: converged after 9 iterations. iteration 472: trace = 2.653860957389842 (2.08485e-10% change) large trace change predicted (9.08118e-10%) linmin: converged after 6 iterations. iteration 473: trace = 2.653860957365741 (9.08155e-10% change) linmin: converged after 3 iterations. iteration 474: trace = 2.653860957341259 (9.22512e-10% change) linmin: converged after 6 iterations. iteration 475: trace = 2.653860957332617 (3.25638e-10% change) large trace change predicted (1.53152e-09%) linmin: converged after 6 iterations. iteration 476: trace = 2.653860957291968 (1.53169e-09% change) linmin: converged after 3 iterations. iteration 477: trace = 2.653860957263744 (1.06351e-09% change) linmin: converged after 5 iterations. iteration 478: trace = 2.653860957229201 (1.30161e-09% change) linmin: converged after 4 iterations. iteration 479: trace = 2.653860957221559 (2.87954e-10% change) large trace change predicted (9.55324e-10%) linmin: converged after 4 iterations. iteration 480: trace = 2.653860957196203 (9.55444e-10% change) linmin: converged after 6 iterations. iteration 481: trace = 2.653860957171275 (9.39279e-10% change) linmin: converged after 3 iterations. iteration 482: trace = 2.653860957165084 (2.33301e-10% change) large trace change predicted (8.92355e-10%) linmin: converged after 4 iterations. iteration 483: trace = 2.653860957141402 (8.92358e-10% change) linmin: converged after 13 iterations. iteration 484: trace = 2.653860957132954 (3.18325e-10% change) linmin: converged after 3 iterations. iteration 485: trace = 2.65386095712573 (2.72207e-10% change) linmin: converged after 5 iterations. iteration 486: trace = 2.653860957117032 (3.27763e-10% change) linmin: converged after 7 iterations. iteration 487: trace = 2.65386095711466 (8.93747e-11% change) Finished solving for bands 1 to 10 after 487 iterations. tmfreqs:, 7, 0.5, 0.5, 0, 0.707107, 0.215649, 0.353602, 0.365269, 0.480748, 0.507335, 0.512534, 0.60792, 0.619784, 0.648908, 0.650323 elapsed time for k point: 10.914948225021362 solve_kpoint (0.333333,0.333333,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.767191359900659 (3.67887% change) linmin: converged after 6 iterations. iteration 2: trace = 2.669057064223724 (3.61037% change) linmin: converged after 5 iterations. iteration 3: trace = 2.6036257943754 (2.4819% change) linmin: converged after 4 iterations. iteration 4: trace = 2.589397473453344 (0.547978% change) linmin: converged after 11 iterations. iteration 5: trace = 2.564425798223957 (0.969054% change) linmin: converged after 4 iterations. iteration 6: trace = 2.56227099255405 (0.0840621% change) large trace change predicted (0.183586%) linmin: converged after 4 iterations. iteration 7: trace = 2.557519451191472 (0.185615% change) linmin: converged after 4 iterations. iteration 8: trace = 2.553381147519061 (0.16194% change) linmin: converged after 4 iterations. iteration 9: trace = 2.551758112059498 (0.0635844% change) linmin: converged after 4 iterations. iteration 10: trace = 2.548676087501944 (0.120853% change) linmin: converged after 4 iterations. iteration 11: trace = 2.547042194197328 (0.0641281% change) linmin: converged after 4 iterations. iteration 12: trace = 2.545109356631263 (0.0759144% change) linmin: converged after 4 iterations. iteration 13: trace = 2.543744816460272 (0.0536286% change) linmin: converged after 4 iterations. iteration 14: trace = 2.543493514467712 (0.0098797% change) large trace change predicted (0.0326856%) linmin: converged after 4 iterations. iteration 15: trace = 2.542654794913648 (0.0329805% change) linmin: converged after 3 iterations. iteration 16: trace = 2.542233369303156 (0.0165756% change) linmin: converged after 3 iterations. iteration 17: trace = 2.54198941747568 (0.00959643% change) large trace change predicted (0.0296921%) linmin: converged after 4 iterations. iteration 18: trace = 2.541222802269298 (0.0301626% change) linmin: converged after 3 iterations. iteration 19: trace = 2.540916664973665 (0.0120476% change) linmin: converged after 4 iterations. iteration 20: trace = 2.540420029329066 (0.0195474% change) linmin: converged after 3 iterations. iteration 21: trace = 2.540069529024041 (0.0137979% change) linmin: converged after 4 iterations. iteration 22: trace = 2.539913073190493 (0.0061597% change) large trace change predicted (0.0132669%) linmin: converged after 3 iterations. iteration 23: trace = 2.539574117819785 (0.013346% change) linmin: converged after 3 iterations. iteration 24: trace = 2.53932004151427 (0.0100052% change) linmin: converged after 3 iterations. iteration 25: trace = 2.539190024559254 (0.00512028% change) large trace change predicted (0.0109152%) linmin: converged after 3 iterations. iteration 26: trace = 2.538911967599464 (0.0109512% change) linmin: converged after 3 iterations. iteration 27: trace = 2.538826425514922 (0.0033693% change) large trace change predicted (0.00728319%) linmin: converged after 3 iterations. iteration 28: trace = 2.538640782043356 (0.00731244% change) linmin: converged after 3 iterations. iteration 29: trace = 2.538415985022709 (0.00885541% change) linmin: converged after 4 iterations. iteration 30: trace = 2.538329548016399 (0.00340521% change) large trace change predicted (0.0126402%) linmin: converged after 5 iterations. iteration 31: trace = 2.538007524605835 (0.0126872% change) linmin: converged after 3 iterations. iteration 32: trace = 2.537917134122857 (0.00356154% change) large trace change predicted (0.011859%) linmin: converged after 4 iterations. iteration 33: trace = 2.53761538877912 (0.0118902% change) linmin: converged after 9 iterations. iteration 34: trace = 2.537446537580793 (0.00665415% change) linmin: converged after 4 iterations. iteration 35: trace = 2.53733737654493 (0.0043021% change) large trace change predicted (0.010611%) linmin: converged after 3 iterations. iteration 36: trace = 2.537067938271674 (0.0106195% change) linmin: converged after 3 iterations. iteration 37: trace = 2.536999338605757 (0.00270393% change) large trace change predicted (0.0111008%) linmin: converged after 6 iterations. iteration 38: trace = 2.536717301342011 (0.0111176% change) linmin: converged after 4 iterations. iteration 39: trace = 2.536633649504292 (0.0032977% change) linmin: converged after 3 iterations. iteration 40: trace = 2.536477740090534 (0.0061465% change) linmin: converged after 3 iterations. iteration 41: trace = 2.536329147050624 (0.00585842% change) linmin: converged after 3 iterations. iteration 42: trace = 2.536150129902496 (0.00705837% change) linmin: converged after 3 iterations. iteration 43: trace = 2.535989187472811 (0.00634614% change) linmin: converged after 3 iterations. iteration 44: trace = 2.535865636101641 (0.00487204% change) linmin: converged after 3 iterations. iteration 45: trace = 2.535703129977313 (0.00640852% change) linmin: converged after 3 iterations. iteration 46: trace = 2.535652164602485 (0.00200993% change) large trace change predicted (0.00754011%) linmin: converged after 4 iterations. iteration 47: trace = 2.535461020443776 (0.00753855% change) linmin: converged after 4 iterations. iteration 48: trace = 2.535421690439817 (0.00155121% change) large trace change predicted (0.00506197%) linmin: converged after 3 iterations. iteration 49: trace = 2.535293406506491 (0.0050598% change) linmin: converged after 3 iterations. iteration 50: trace = 2.53521276212383 (0.00318092% change) linmin: converged after 4 iterations. iteration 51: trace = 2.535125004471859 (0.00346161% change) linmin: converged after 4 iterations. iteration 52: trace = 2.534950838492999 (0.00687035% change) linmin: converged after 4 iterations. iteration 53: trace = 2.534873055670356 (0.00306846% change) large trace change predicted (0.00863854%) linmin: converged after 4 iterations. iteration 54: trace = 2.534655203323289 (0.00859458% change) linmin: converged after 4 iterations. iteration 55: trace = 2.534598318427521 (0.00224431% change) large trace change predicted (0.00574944%) linmin: converged after 4 iterations. iteration 56: trace = 2.534453093072873 (0.00572988% change) linmin: converged after 4 iterations. iteration 57: trace = 2.534390064333639 (0.00248691% change) linmin: converged after 4 iterations. iteration 58: trace = 2.534330715143176 (0.00234178% change) linmin: converged after 5 iterations. iteration 59: trace = 2.534233925355487 (0.00381922% change) linmin: converged after 4 iterations. iteration 60: trace = 2.534207639918007 (0.00103722% change) large trace change predicted (0.00309781%) linmin: converged after 3 iterations. iteration 61: trace = 2.534129177793587 (0.00309617% change) linmin: converged after 4 iterations. iteration 62: trace = 2.534095627014707 (0.00132397% change) large trace change predicted (0.00285521%) linmin: converged after 4 iterations. iteration 63: trace = 2.534023338423374 (0.00285268% change) linmin: converged after 4 iterations. iteration 64: trace = 2.533957962271697 (0.00257997% change) linmin: converged after 4 iterations. iteration 65: trace = 2.533883349405139 (0.00294456% change) linmin: converged after 4 iterations. iteration 66: trace = 2.533772553908711 (0.00437265% change) linmin: converged after 4 iterations. iteration 67: trace = 2.533730619638856 (0.00165503% change) linmin: converged after 3 iterations. iteration 68: trace = 2.53365910557683 (0.00282252% change) linmin: converged after 3 iterations. iteration 69: trace = 2.533617326462081 (0.00164898% change) resetting CG direction... linmin: converged after 5 iterations. iteration 70: trace = 2.533588468127561 (0.00113902% change) linmin: converged after 3 iterations. iteration 71: trace = 2.533564612631144 (0.000941574% change) linmin: converged after 5 iterations. iteration 72: trace = 2.533539565827279 (0.000988604% change) linmin: converged after 3 iterations. iteration 73: trace = 2.533522851944827 (0.000659707% change) large trace change predicted (0.00183858%) linmin: converged after 3 iterations. iteration 74: trace = 2.533476190230128 (0.00184179% change) linmin: converged after 5 iterations. iteration 75: trace = 2.533464116338791 (0.000476575% change) large trace change predicted (0.0027524%) linmin: converged after 3 iterations. iteration 76: trace = 2.533394140496579 (0.0027621% change) linmin: converged after 3 iterations. iteration 77: trace = 2.533360152124861 (0.00134162% change) linmin: converged after 3 iterations. iteration 78: trace = 2.533332216909686 (0.0011027% change) large trace change predicted (0.00246271%) linmin: converged after 3 iterations. iteration 79: trace = 2.533269550951909 (0.00247369% change) linmin: converged after 4 iterations. iteration 80: trace = 2.53321757351669 (0.00205181% change) linmin: converged after 3 iterations. iteration 81: trace = 2.533191311732387 (0.0010367% change) large trace change predicted (0.00237279%) linmin: converged after 4 iterations. iteration 82: trace = 2.533130954946341 (0.00238267% change) linmin: converged after 3 iterations. iteration 83: trace = 2.533112979858068 (0.000709602% change) linmin: converged after 3 iterations. iteration 84: trace = 2.53308883005004 (0.000953369% change) linmin: converged after 3 iterations. iteration 85: trace = 2.533060203136364 (0.00113013% change) linmin: converged after 3 iterations. iteration 86: trace = 2.533052321591619 (0.000311148% change) large trace change predicted (0.000755847%) linmin: converged after 3 iterations. iteration 87: trace = 2.533033164984285 (0.000756269% change) linmin: converged after 3 iterations. iteration 88: trace = 2.533014475231882 (0.000737844% change) linmin: converged after 3 iterations. iteration 89: trace = 2.533001356101632 (0.000517927% change) linmin: converged after 5 iterations. iteration 90: trace = 2.532976196411763 (0.000993281% change) linmin: converged after 3 iterations. iteration 91: trace = 2.532972346128114 (0.000152006% change) large trace change predicted (0.000749754%) linmin: converged after 4 iterations. iteration 92: trace = 2.532953368903722 (0.000749211% change) linmin: converged after 4 iterations. iteration 93: trace = 2.53293491010202 (0.000728749% change) linmin: converged after 4 iterations. iteration 94: trace = 2.532926881902547 (0.000316953% change) large trace change predicted (0.00178242%) linmin: converged after 4 iterations. iteration 95: trace = 2.532881914444002 (0.00177533% change) linmin: converged after 4 iterations. iteration 96: trace = 2.53285830046675 (0.000932301% change) linmin: converged after 4 iterations. iteration 97: trace = 2.532819784042777 (0.00152068% change) linmin: converged after 4 iterations. iteration 98: trace = 2.532786188462793 (0.00132642% change) linmin: converged after 7 iterations. iteration 99: trace = 2.532774276665058 (0.000470305% change) large trace change predicted (0.00101682%) linmin: converged after 4 iterations. iteration 100: trace = 2.532748567800271 (0.00101505% change) linmin: converged after 4 iterations. iteration 101: trace = 2.532735567534749 (0.000513288% change) linmin: converged after 8 iterations. iteration 102: trace = 2.53272593241923 (0.000380424% change) linmin: converged after 3 iterations. iteration 103: trace = 2.532712921241087 (0.000513724% change) linmin: converged after 3 iterations. iteration 104: trace = 2.532704524689957 (0.000331525% change) linmin: converged after 3 iterations. iteration 105: trace = 2.532697408516166 (0.000280972% change) large trace change predicted (0.000634814%) linmin: converged after 3 iterations. iteration 106: trace = 2.53268133815653 (0.000634518% change) linmin: converged after 3 iterations. iteration 107: trace = 2.532678232660709 (0.000122617% change) large trace change predicted (0.00036579%) linmin: converged after 7 iterations. iteration 108: trace = 2.532668970184757 (0.000365719% change) linmin: converged after 5 iterations. iteration 109: trace = 2.5326625880607 (0.000251992% change) linmin: converged after 3 iterations. iteration 110: trace = 2.532659590556519 (0.000118354% change) large trace change predicted (0.000484599%) linmin: converged after 3 iterations. iteration 111: trace = 2.532647313475453 (0.000484752% change) linmin: converged after 10 iterations. iteration 112: trace = 2.532643041072099 (0.000168693% change) large trace change predicted (0.00119252%) linmin: converged after 3 iterations. iteration 113: trace = 2.532612820652287 (0.00119324% change) linmin: converged after 3 iterations. iteration 114: trace = 2.532592046086573 (0.000820285% change) linmin: converged after 3 iterations. iteration 115: trace = 2.532581446501127 (0.000418528% change) large trace change predicted (0.00102425%) linmin: converged after 3 iterations. iteration 116: trace = 2.532555476505645 (0.00102544% change) linmin: converged after 3 iterations. iteration 117: trace = 2.532535088789213 (0.000805029% change) linmin: converged after 3 iterations. iteration 118: trace = 2.532524446015346 (0.000420243% change) linmin: converged after 6 iterations. iteration 119: trace = 2.532503170490255 (0.000840095% change) linmin: converged after 4 iterations. iteration 120: trace = 2.532499362408514 (0.000150368% change) large trace change predicted (0.000429286%) linmin: converged after 4 iterations. iteration 121: trace = 2.532488488638697 (0.00042937% change) linmin: converged after 3 iterations. iteration 122: trace = 2.532482069110036 (0.000253487% change) linmin: converged after 7 iterations. iteration 123: trace = 2.532479968273738 (8.29557e-05% change) large trace change predicted (0.000283652%) linmin: converged after 3 iterations. iteration 124: trace = 2.532472781286882 (0.000283793% change) linmin: converged after 3 iterations. iteration 125: trace = 2.532467453403485 (0.000210383% change) linmin: converged after 3 iterations. iteration 126: trace = 2.532465630899168 (7.19656e-05% change) large trace change predicted (0.000443994%) linmin: converged after 3 iterations. iteration 127: trace = 2.532454369363875 (0.000444688% change) linmin: converged after 3 iterations. iteration 128: trace = 2.532452533273903 (7.25024e-05% change) large trace change predicted (0.00033789%) linmin: converged after 7 iterations. iteration 129: trace = 2.532443971907508 (0.000338067% change) linmin: converged after 3 iterations. iteration 130: trace = 2.532434760005974 (0.000363756% change) linmin: converged after 3 iterations. iteration 131: trace = 2.532431818985799 (0.000116134% change) large trace change predicted (0.000512254%) linmin: converged after 4 iterations. iteration 132: trace = 2.532418827376971 (0.000513011% change) linmin: converged after 4 iterations. iteration 133: trace = 2.53241349546081 (0.000210547% change) large trace change predicted (0.000489508%) linmin: converged after 4 iterations. iteration 134: trace = 2.532401094202394 (0.000489702% change) linmin: converged after 4 iterations. iteration 135: trace = 2.532386160309443 (0.000589715% change) linmin: converged after 5 iterations. iteration 136: trace = 2.532381530256168 (0.000182834% change) linmin: converged after 4 iterations. iteration 137: trace = 2.532372862130214 (0.000342292% change) linmin: converged after 4 iterations. iteration 138: trace = 2.532367974423152 (0.000193009% change) linmin: converged after 3 iterations. iteration 139: trace = 2.532366678583778 (5.11711e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.5323656712027 (3.97802e-05% change) linmin: converged after 10 iterations. iteration 141: trace = 2.532363827393374 (7.28098e-05% change) linmin: converged after 5 iterations. iteration 142: trace = 2.532360999875571 (0.000111655% change) linmin: converged after 4 iterations. iteration 143: trace = 2.532359796989182 (4.75006e-05% change) large trace change predicted (0.000180444%) linmin: converged after 3 iterations. iteration 144: trace = 2.532355227940748 (0.000180427% change) linmin: converged after 4 iterations. iteration 145: trace = 2.532352211255246 (0.000119126% change) linmin: converged after 4 iterations. iteration 146: trace = 2.532349362290318 (0.000112503% change) large trace change predicted (0.000233004%) linmin: converged after 3 iterations. iteration 147: trace = 2.532343463407119 (0.000232941% change) linmin: converged after 4 iterations. iteration 148: trace = 2.532342115130471 (5.32423e-05% change) large trace change predicted (0.000204419%) linmin: converged after 3 iterations. iteration 149: trace = 2.532336939884447 (0.000204366% change) linmin: converged after 3 iterations. iteration 150: trace = 2.53233335996828 (0.000141368% change) linmin: converged after 3 iterations. iteration 151: trace = 2.532332046545821 (5.18661e-05% change) large trace change predicted (0.000151303%) linmin: converged after 3 iterations. iteration 152: trace = 2.532328217478827 (0.000151207% change) linmin: converged after 3 iterations. iteration 153: trace = 2.532325426354618 (0.00011022% change) linmin: converged after 4 iterations. iteration 154: trace = 2.532323591078181 (7.2474e-05% change) linmin: converged after 6 iterations. iteration 155: trace = 2.532320460236503 (0.000123635% change) linmin: converged after 3 iterations. iteration 156: trace = 2.532319684421553 (3.06365e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.53231850448854 (4.6595e-05% change) linmin: converged after 4 iterations. iteration 158: trace = 2.532316968026178 (6.06742e-05% change) linmin: converged after 5 iterations. iteration 159: trace = 2.532316667577852 (1.18646e-05% change) large trace change predicted (5.68741e-05%) linmin: converged after 5 iterations. iteration 160: trace = 2.532315227301718 (5.68758e-05% change) linmin: converged after 10 iterations. iteration 161: trace = 2.532314452183978 (3.06091e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.532313521937153 (3.67351e-05% change) large trace change predicted (8.54363e-05%) linmin: converged after 3 iterations. iteration 163: trace = 2.532311358502254 (8.54332e-05% change) linmin: converged after 9 iterations. iteration 164: trace = 2.532309834643512 (6.01766e-05% change) linmin: converged after 2 iterations. iteration 165: trace = 2.532308435807828 (5.52395e-05% change) large trace change predicted (0.000170648%) linmin: converged after 3 iterations. iteration 166: trace = 2.532304113761198 (0.000170676% change) linmin: converged after 4 iterations. iteration 167: trace = 2.532303035533439 (4.25789e-05% change) large trace change predicted (0.000112857%) linmin: converged after 4 iterations. iteration 168: trace = 2.532300177212031 (0.000112874% change) linmin: converged after 3 iterations. iteration 169: trace = 2.532297956753474 (8.76855e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.532297190420216 (3.02624e-05% change) large trace change predicted (6.61834e-05%) linmin: converged after 3 iterations. iteration 171: trace = 2.532295514663681 (6.61754e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.53229378477196 (6.83132e-05% change) linmin: converged after 3 iterations. iteration 173: trace = 2.53229233940271 (5.70775e-05% change) linmin: converged after 3 iterations. iteration 174: trace = 2.532290202829727 (8.43731e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.532289883242941 (1.26205e-05% change) large trace change predicted (5.84582e-05%) linmin: converged after 3 iterations. iteration 176: trace = 2.532288402834586 (5.84613e-05% change) linmin: converged after 4 iterations. iteration 177: trace = 2.532287712160898 (2.72747e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 2.532287402678403 (1.22215e-05% change) large trace change predicted (4.26133e-05%) linmin: converged after 3 iterations. iteration 179: trace = 2.532286323488426 (4.26172e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.532285455180427 (3.42895e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.532284512810181 (3.72142e-05% change) large trace change predicted (0.000114098%) linmin: converged after 3 iterations. iteration 182: trace = 2.532281620534402 (0.000114216% change) linmin: converged after 3 iterations. iteration 183: trace = 2.532280807946858 (3.20892e-05% change) large trace change predicted (0.000118636%) linmin: converged after 4 iterations. iteration 184: trace = 2.532277799570789 (0.000118801% change) linmin: converged after 4 iterations. iteration 185: trace = 2.532275098425584 (0.000106669% change) linmin: converged after 4 iterations. iteration 186: trace = 2.532274133967233 (3.80866e-05% change) large trace change predicted (0.00010206%) linmin: converged after 14 iterations. iteration 187: trace = 2.532271546585648 (0.000102176% change) linmin: converged after 4 iterations. iteration 188: trace = 2.532270062907924 (5.85908e-05% change) linmin: converged after 5 iterations. iteration 189: trace = 2.532268229544497 (7.24e-05% change) linmin: converged after 3 iterations. iteration 190: trace = 2.532265425303058 (0.00011074% change) linmin: converged after 4 iterations. iteration 191: trace = 2.532264922135603 (1.98703e-05% change) large trace change predicted (5.89621e-05%) linmin: converged after 3 iterations. iteration 192: trace = 2.53226342902136 (5.89636e-05% change) linmin: converged after 3 iterations. iteration 193: trace = 2.532262589103189 (3.31687e-05% change) linmin: converged after 5 iterations. iteration 194: trace = 2.532262136739078 (1.7864e-05% change) large trace change predicted (4.74429e-05%) linmin: converged after 4 iterations. iteration 195: trace = 2.53226093556069 (4.7435e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.532260514572423 (1.6625e-05% change) large trace change predicted (5.60629e-05%) linmin: converged after 4 iterations. iteration 197: trace = 2.532259095148723 (5.60536e-05% change) linmin: converged after 3 iterations. iteration 198: trace = 2.532257795808561 (5.13115e-05% change) linmin: converged after 16 iterations. iteration 199: trace = 2.532257349839052 (1.76115e-05% change) large trace change predicted (5.00381e-05%) linmin: converged after 5 iterations. iteration 200: trace = 2.532256083315164 (5.00156e-05% change) linmin: converged after 4 iterations. iteration 201: trace = 2.53225471311544 (5.41099e-05% change) linmin: converged after 5 iterations. iteration 202: trace = 2.532254055080478 (2.59861e-05% change) large trace change predicted (7.93994e-05%) linmin: converged after 4 iterations. iteration 203: trace = 2.532252046538988 (7.93184e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.532251132078102 (3.61126e-05% change) large trace change predicted (8.34618e-05%) linmin: converged after 5 iterations. iteration 205: trace = 2.532249020689084 (8.338e-05% change) linmin: converged after 14 iterations. iteration 206: trace = 2.532247674082002 (5.31783e-05% change) linmin: converged after 4 iterations. iteration 207: trace = 2.532247142085046 (2.10089e-05% change) linmin: converged after 5 iterations. iteration 208: trace = 2.532246410139991 (2.8905e-05% change) linmin: converged after 4 iterations. iteration 209: trace = 2.532245665239943 (2.94166e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 2.532245345449662 (1.26287e-05% change) linmin: converged after 9 iterations. iteration 211: trace = 2.532244899809545 (1.75986e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.532244695798735 (8.05652e-06% change) large trace change predicted (1.94182e-05%) linmin: converged after 3 iterations. iteration 213: trace = 2.532244204011934 (1.9421e-05% change) linmin: converged after 3 iterations. iteration 214: trace = 2.53224352686151 (2.67411e-05% change) linmin: converged after 3 iterations. iteration 215: trace = 2.532243327629037 (7.86782e-06% change) large trace change predicted (3.44148e-05%) linmin: converged after 3 iterations. iteration 216: trace = 2.532242455904719 (3.4425e-05% change) linmin: converged after 3 iterations. iteration 217: trace = 2.532241893073738 (2.22266e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 2.532241540381099 (1.39281e-05% change) linmin: converged after 4 iterations. iteration 219: trace = 2.532240847812051 (2.735e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 2.532240502077886 (1.36533e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.532239869330575 (2.49876e-05% change) linmin: converged after 6 iterations. iteration 222: trace = 2.532239139337781 (2.8828e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 2.532238929368865 (8.29183e-06% change) large trace change predicted (2.61701e-05%) linmin: converged after 4 iterations. iteration 224: trace = 2.532238266463561 (2.61786e-05% change) linmin: converged after 3 iterations. iteration 225: trace = 2.53223793257309 (1.31856e-05% change) linmin: converged after 4 iterations. iteration 226: trace = 2.532237643121048 (1.14307e-05% change) linmin: converged after 3 iterations. iteration 227: trace = 2.53223733580369 (1.21362e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 2.532237055924255 (1.10527e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.532236979449607 (3.02004e-06% change) large trace change predicted (1.51042e-05%) linmin: converged after 5 iterations. iteration 230: trace = 2.53223659699959 (1.51032e-05% change) linmin: converged after 12 iterations. iteration 231: trace = 2.532236530951999 (2.60827e-06% change) large trace change predicted (1.41746e-05%) linmin: converged after 5 iterations. iteration 232: trace = 2.532236172095298 (1.41715e-05% change) linmin: converged after 4 iterations. iteration 233: trace = 2.532235854177413 (1.25548e-05% change) linmin: converged after 4 iterations. iteration 234: trace = 2.532235719088886 (5.33475e-06% change) large trace change predicted (1.82457e-05%) linmin: converged after 5 iterations. iteration 235: trace = 2.532235257295151 (1.82366e-05% change) linmin: converged after 4 iterations. iteration 236: trace = 2.532234707562479 (2.17094e-05% change) linmin: converged after 4 iterations. iteration 237: trace = 2.532234531669597 (6.94615e-06% change) large trace change predicted (1.71871e-05%) linmin: converged after 6 iterations. iteration 238: trace = 2.532234096642287 (1.71796e-05% change) linmin: converged after 6 iterations. iteration 239: trace = 2.532233937626063 (6.27968e-06% change) linmin: converged after 3 iterations. iteration 240: trace = 2.532233784020798 (6.066e-06% change) linmin: converged after 4 iterations. iteration 241: trace = 2.532233579794711 (8.06506e-06% change) linmin: converged after 10 iterations. iteration 242: trace = 2.532233484638245 (3.75781e-06% change) linmin: converged after 4 iterations. iteration 243: trace = 2.53223335469467 (5.13158e-06% change) linmin: converged after 10 iterations. iteration 244: trace = 2.53223313150978 (8.81376e-06% change) linmin: converged after 8 iterations. iteration 245: trace = 2.532233101193213 (1.19723e-06% change) large trace change predicted (6.51414e-06%) linmin: converged after 5 iterations. iteration 246: trace = 2.532232936256826 (6.51348e-06% change) linmin: converged after 6 iterations. iteration 247: trace = 2.532232878239224 (2.29116e-06% change) linmin: converged after 6 iterations. iteration 248: trace = 2.532232795963472 (3.24914e-06% change) linmin: converged after 3 iterations. iteration 249: trace = 2.532232690068687 (4.18187e-06% change) linmin: converged after 3 iterations. iteration 250: trace = 2.532232634361 (2.19994e-06% change) large trace change predicted (6.51456e-06%) linmin: converged after 4 iterations. iteration 251: trace = 2.532232469379299 (6.51527e-06% change) linmin: converged after 13 iterations. iteration 252: trace = 2.532232171498215 (1.17636e-05% change) linmin: converged after 4 iterations. iteration 253: trace = 2.532232090922851 (3.18199e-06% change) large trace change predicted (1.30667e-05%) linmin: converged after 7 iterations. iteration 254: trace = 2.532231760069726 (1.30657e-05% change) linmin: converged after 9 iterations. iteration 255: trace = 2.532231539224154 (8.72138e-06% change) linmin: converged after 4 iterations. iteration 256: trace = 2.532231468457076 (2.79465e-06% change) large trace change predicted (5.60886e-06%) linmin: converged after 3 iterations. iteration 257: trace = 2.532231326428751 (5.60882e-06% change) linmin: converged after 2 iterations. iteration 258: trace = 2.532231207253 (4.70635e-06% change) linmin: converged after 17 iterations. iteration 259: trace = 2.532231177541257 (1.17334e-06% change) large trace change predicted (4.44584e-06%) linmin: converged after 16 iterations. iteration 260: trace = 2.532231064958411 (4.44599e-06% change) linmin: converged after 5 iterations. iteration 261: trace = 2.532230986862467 (3.08408e-06% change) linmin: converged after 12 iterations. iteration 262: trace = 2.5322309632879 (9.3098e-07% change) large trace change predicted (3.2661e-06%) linmin: converged after 7 iterations. iteration 263: trace = 2.532230880576092 (3.26636e-06% change) linmin: converged after 2 iterations. iteration 264: trace = 2.532230807471777 (2.88695e-06% change) linmin: converged after 6 iterations. iteration 265: trace = 2.532230779813869 (1.09223e-06% change) large trace change predicted (6.33723e-06%) linmin: converged after 3 iterations. iteration 266: trace = 2.532230619326621 (6.33778e-06% change) linmin: converged after 26 iterations. iteration 267: trace = 2.532230594093199 (9.9649e-07% change) large trace change predicted (6.44572e-06%) linmin: converged after 6 iterations. iteration 268: trace = 2.532230430863963 (6.44607e-06% change) linmin: converged after 5 iterations. iteration 269: trace = 2.53223033140914 (3.92756e-06% change) linmin: converged after 4 iterations. iteration 270: trace = 2.532230289677092 (1.64804e-06% change) large trace change predicted (6.77669e-06%) linmin: converged after 3 iterations. iteration 271: trace = 2.532230118058079 (6.77739e-06% change) linmin: converged after 9 iterations. iteration 272: trace = 2.532229989424859 (5.07984e-06% change) linmin: converged after 4 iterations. iteration 273: trace = 2.532229883447351 (4.18515e-06% change) linmin: converged after 4 iterations. iteration 274: trace = 2.532229738918634 (5.70757e-06% change) linmin: converged after 4 iterations. iteration 275: trace = 2.532229696400672 (1.67907e-06% change) large trace change predicted (3.58218e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.532229605686134 (3.5824e-06% change) linmin: converged after 19 iterations. iteration 277: trace = 2.532229549961051 (2.20063e-06% change) linmin: converged after 4 iterations. iteration 278: trace = 2.532229529455688 (8.09775e-07% change) large trace change predicted (4.12313e-06%) linmin: converged after 21 iterations. iteration 279: trace = 2.532229425049344 (4.1231e-06% change) resetting CG direction... linmin: converged after 17 iterations. iteration 280: trace = 2.532229362204813 (2.48179e-06% change) linmin: converged after 4 iterations. iteration 281: trace = 2.532229350153655 (4.75911e-07% change) large trace change predicted (1.67039e-06%) linmin: converged after 3 iterations. iteration 282: trace = 2.532229307855861 (1.67038e-06% change) linmin: converged after 17 iterations. iteration 283: trace = 2.532229254072699 (2.12395e-06% change) linmin: converged after 7 iterations. iteration 284: trace = 2.532229231474435 (8.92426e-07% change) large trace change predicted (3.1065e-06%) linmin: converged after 6 iterations. iteration 285: trace = 2.532229152810758 (3.1065e-06% change) linmin: converged after 4 iterations. iteration 286: trace = 2.532229109479215 (1.7112e-06% change) large trace change predicted (3.49746e-06%) linmin: converged after 6 iterations. iteration 287: trace = 2.532229020913346 (3.49755e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.532228933740109 (3.44255e-06% change) linmin: converged after 12 iterations. iteration 289: trace = 2.53222889713511 (1.44556e-06% change) linmin: converged after 8 iterations. iteration 290: trace = 2.532228825799343 (2.81711e-06% change) linmin: converged after 3 iterations. iteration 291: trace = 2.532228755625285 (2.77124e-06% change) linmin: converged after 6 iterations. iteration 292: trace = 2.532228736767303 (7.44719e-07% change) large trace change predicted (3.00507e-06%) linmin: converged after 7 iterations. iteration 293: trace = 2.532228660678591 (3.00481e-06% change) linmin: converged after 4 iterations. iteration 294: trace = 2.532228623543513 (1.4665e-06% change) linmin: converged after 6 iterations. iteration 295: trace = 2.532228592945206 (1.20835e-06% change) linmin: converged after 4 iterations. iteration 296: trace = 2.53222856418664 (1.1357e-06% change) linmin: converged after 9 iterations. iteration 297: trace = 2.532228553659108 (4.15742e-07% change) large trace change predicted (9.04462e-07%) linmin: converged after 3 iterations. iteration 298: trace = 2.532228530756682 (9.04438e-07% change) linmin: converged after 4 iterations. iteration 299: trace = 2.532228493908192 (1.45518e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.532228484872204 (3.56839e-07% change) large trace change predicted (1.54468e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.532228445757557 (1.54467e-06% change) linmin: converged after 8 iterations. iteration 302: trace = 2.532228398579518 (1.8631e-06% change) linmin: converged after 3 iterations. iteration 303: trace = 2.532228375061216 (9.28759e-07% change) large trace change predicted (2.40083e-06%) linmin: converged after 3 iterations. iteration 304: trace = 2.532228314269831 (2.40071e-06% change) linmin: converged after 15 iterations. iteration 305: trace = 2.532228278825191 (1.39974e-06% change) linmin: converged after 6 iterations. iteration 306: trace = 2.532228231187256 (1.88127e-06% change) linmin: converged after 8 iterations. iteration 307: trace = 2.532228155039439 (3.00715e-06% change) linmin: converged after 4 iterations. iteration 308: trace = 2.532228098603846 (2.22869e-06% change) linmin: converged after 16 iterations. iteration 309: trace = 2.532228090223597 (3.30944e-07% change) large trace change predicted (1.12239e-06%) linmin: converged after 4 iterations. iteration 310: trace = 2.532228061802467 (1.12238e-06% change) linmin: converged after 5 iterations. iteration 311: trace = 2.532228037889213 (9.44356e-07% change) linmin: converged after 4 iterations. iteration 312: trace = 2.532228030532646 (2.90518e-07% change) large trace change predicted (1.35133e-06%) linmin: converged after 8 iterations. iteration 313: trace = 2.532227996313136 (1.35136e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.532227981769021 (5.7436e-07% change) large trace change predicted (1.58129e-06%) linmin: converged after 13 iterations. iteration 315: trace = 2.532227941725563 (1.58135e-06% change) linmin: converged after 4 iterations. iteration 316: trace = 2.532227904101084 (1.48583e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.532227887641151 (6.50018e-07% change) large trace change predicted (1.68426e-06%) linmin: converged after 5 iterations. iteration 318: trace = 2.532227844987628 (1.68443e-06% change) linmin: converged after 4 iterations. iteration 319: trace = 2.532227801022949 (1.73621e-06% change) linmin: converged after 3 iterations. iteration 320: trace = 2.532227786637012 (5.68114e-07% change) large trace change predicted (2.19015e-06%) linmin: converged after 4 iterations. iteration 321: trace = 2.532227731169816 (2.19045e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.532227706764721 (9.6378e-07% change) large trace change predicted (1.98688e-06%) linmin: converged after 5 iterations. iteration 323: trace = 2.532227656443491 (1.98723e-06% change) linmin: converged after 3 iterations. iteration 324: trace = 2.532227600649281 (2.20336e-06% change) linmin: converged after 20 iterations. iteration 325: trace = 2.532227572868166 (1.0971e-06% change) linmin: converged after 4 iterations. iteration 326: trace = 2.532227558116004 (5.82576e-07% change) large trace change predicted (1.47491e-06%) linmin: converged after 6 iterations. iteration 327: trace = 2.532227520766182 (1.47498e-06% change) linmin: converged after 4 iterations. iteration 328: trace = 2.53222751507689 (2.24675e-07% change) large trace change predicted (1.10161e-06%) linmin: converged after 7 iterations. iteration 329: trace = 2.532227487181792 (1.1016e-06% change) linmin: converged after 4 iterations. iteration 330: trace = 2.532227467600348 (7.73289e-07% change) linmin: converged after 5 iterations. iteration 331: trace = 2.532227456960113 (4.20193e-07% change) large trace change predicted (1.04908e-06%) linmin: converged after 5 iterations. iteration 332: trace = 2.532227430395588 (1.04906e-06% change) linmin: converged after 6 iterations. iteration 333: trace = 2.532227394851205 (1.40368e-06% change) linmin: converged after 14 iterations. iteration 334: trace = 2.532227385067134 (3.86382e-07% change) large trace change predicted (2.53429e-06%) linmin: converged after 7 iterations. iteration 335: trace = 2.532227320902832 (2.53391e-06% change) linmin: converged after 5 iterations. iteration 336: trace = 2.532227305219125 (6.19364e-07% change) large trace change predicted (1.72038e-06%) linmin: converged after 17 iterations. iteration 337: trace = 2.532227261657944 (1.72027e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.532227223570452 (1.50411e-06% change) linmin: converged after 4 iterations. iteration 339: trace = 2.532227213967092 (3.79246e-07% change) large trace change predicted (1.16087e-06%) linmin: converged after 5 iterations. iteration 340: trace = 2.53222718457211 (1.16084e-06% change) linmin: converged after 5 iterations. iteration 341: trace = 2.532227156275118 (1.11747e-06% change) linmin: converged after 9 iterations. iteration 342: trace = 2.532227148450816 (3.08989e-07% change) large trace change predicted (9.66064e-07%) linmin: converged after 5 iterations. iteration 343: trace = 2.532227123988557 (9.66037e-07% change) linmin: converged after 5 iterations. iteration 344: trace = 2.532227107010383 (6.70484e-07% change) linmin: converged after 4 iterations. iteration 345: trace = 2.532227095890339 (4.39141e-07% change) linmin: converged after 8 iterations. iteration 346: trace = 2.532227080349761 (6.13712e-07% change) linmin: converged after 4 iterations. iteration 347: trace = 2.532227076250968 (1.61865e-07% change) linmin: converged after 2 iterations. iteration 348: trace = 2.532227068112935 (3.21378e-07% change) large trace change predicted (8.70544e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.532227046068919 (8.70539e-07% change) resetting CG direction... linmin: converged after 6 iterations. iteration 350: trace = 2.532227041253952 (1.90148e-07% change) large trace change predicted (5.24462e-07%) linmin: converged after 3 iterations. iteration 351: trace = 2.532227027973468 (5.24459e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.532227020012078 (3.14403e-07% change) linmin: converged after 3 iterations. iteration 353: trace = 2.532227015957442 (1.60121e-07% change) large trace change predicted (4.28601e-07%) linmin: converged after 7 iterations. iteration 354: trace = 2.532227005104187 (4.28605e-07% change) linmin: converged after 13 iterations. iteration 355: trace = 2.532226996652225 (3.33776e-07% change) linmin: converged after 8 iterations. iteration 356: trace = 2.532226987561438 (3.59004e-07% change) linmin: converged after 8 iterations. iteration 357: trace = 2.532226969413104 (7.16695e-07% change) linmin: converged after 4 iterations. iteration 358: trace = 2.532226965678333 (1.4749e-07% change) large trace change predicted (5.70213e-07%) linmin: converged after 11 iterations. iteration 359: trace = 2.532226951238592 (5.70239e-07% change) linmin: converged after 4 iterations. iteration 360: trace = 2.532226936960811 (5.63843e-07% change) linmin: converged after 21 iterations. iteration 361: trace = 2.53222693253943 (1.74604e-07% change) large trace change predicted (7.64604e-07%) linmin: converged after 5 iterations. iteration 362: trace = 2.532226913176651 (7.64654e-07% change) linmin: converged after 2 iterations. iteration 363: trace = 2.532226900874408 (4.85827e-07% change) linmin: converged after 7 iterations. iteration 364: trace = 2.532226889402457 (4.53038e-07% change) linmin: converged after 6 iterations. iteration 365: trace = 2.532226871634764 (7.01663e-07% change) linmin: converged after 15 iterations. iteration 366: trace = 2.532226865149388 (2.56114e-07% change) linmin: converged after 4 iterations. iteration 367: trace = 2.532226858083303 (2.79046e-07% change) linmin: converged after 3 iterations. iteration 368: trace = 2.532226849760441 (3.28678e-07% change) linmin: converged after 4 iterations. iteration 369: trace = 2.532226846290662 (1.37025e-07% change) linmin: converged after 10 iterations. iteration 370: trace = 2.532226840160222 (2.42097e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.53222683497562 (2.04745e-07% change) linmin: converged after 4 iterations. iteration 372: trace = 2.532226831176658 (1.50025e-07% change) linmin: converged after 22 iterations. iteration 373: trace = 2.532226823812367 (2.90823e-07% change) linmin: converged after 4 iterations. iteration 374: trace = 2.532226820168667 (1.43893e-07% change) linmin: converged after 2 iterations. iteration 375: trace = 2.532226817017566 (1.2444e-07% change) large trace change predicted (4.75244e-07%) linmin: converged after 4 iterations. iteration 376: trace = 2.532226804984404 (4.75201e-07% change) linmin: converged after 9 iterations. iteration 377: trace = 2.532226793615652 (4.48963e-07% change) linmin: converged after 4 iterations. iteration 378: trace = 2.532226791481499 (8.42797e-08% change) large trace change predicted (3.01751e-07%) linmin: converged after 13 iterations. iteration 379: trace = 2.532226783840986 (3.01731e-07% change) linmin: converged after 5 iterations. iteration 380: trace = 2.53222677825189 (2.20719e-07% change) linmin: converged after 11 iterations. iteration 381: trace = 2.532226776198825 (8.10774e-08% change) large trace change predicted (3.09645e-07%) linmin: converged after 4 iterations. iteration 382: trace = 2.532226768358376 (3.09627e-07% change) linmin: converged after 4 iterations. iteration 383: trace = 2.532226764050359 (1.70128e-07% change) linmin: converged after 6 iterations. iteration 384: trace = 2.532226761490044 (1.01109e-07% change) large trace change predicted (2.35328e-07%) linmin: converged after 3 iterations. iteration 385: trace = 2.532226755531154 (2.35322e-07% change) linmin: converged after 4 iterations. iteration 386: trace = 2.532226754606565 (3.65129e-08% change) large trace change predicted (1.73932e-07%) linmin: converged after 13 iterations. iteration 387: trace = 2.532226750202272 (1.7393e-07% change) linmin: converged after 4 iterations. iteration 388: trace = 2.532226748583039 (6.3945e-08% change) linmin: converged after 6 iterations. iteration 389: trace = 2.532226746769836 (7.16051e-08% change) linmin: converged after 4 iterations. iteration 390: trace = 2.532226743674155 (1.22251e-07% change) linmin: converged after 7 iterations. iteration 391: trace = 2.532226742822863 (3.36183e-08% change) large trace change predicted (1.553e-07%) linmin: converged after 7 iterations. iteration 392: trace = 2.532226738890259 (1.55302e-07% change) linmin: converged after 12 iterations. iteration 393: trace = 2.532226733157526 (2.26391e-07% change) linmin: converged after 5 iterations. iteration 394: trace = 2.532226731881656 (5.03853e-08% change) large trace change predicted (2.38712e-07%) linmin: converged after 16 iterations. iteration 395: trace = 2.532226725836817 (2.38716e-07% change) linmin: converged after 10 iterations. iteration 396: trace = 2.532226721303406 (1.79029e-07% change) linmin: converged after 3 iterations. iteration 397: trace = 2.532226720021591 (5.06201e-08% change) large trace change predicted (1.64248e-07%) linmin: converged after 7 iterations. iteration 398: trace = 2.53222671586235 (1.64252e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.532226712848004 (1.19039e-07% change) linmin: converged after 10 iterations. iteration 400: trace = 2.532226711845361 (3.95953e-08% change) large trace change predicted (8.97363e-08%) linmin: converged after 13 iterations. iteration 401: trace = 2.532226709573011 (8.97372e-08% change) linmin: converged after 8 iterations. iteration 402: trace = 2.532226708190714 (5.45882e-08% change) linmin: converged after 4 iterations. iteration 403: trace = 2.532226707175363 (4.00972e-08% change) linmin: converged after 6 iterations. iteration 404: trace = 2.532226705422322 (6.92292e-08% change) linmin: converged after 4 iterations. iteration 405: trace = 2.532226703386372 (8.04016e-08% change) linmin: converged after 15 iterations. iteration 406: trace = 2.532226702543767 (3.32753e-08% change) large trace change predicted (1.27052e-07%) linmin: converged after 7 iterations. iteration 407: trace = 2.532226699326492 (1.27053e-07% change) linmin: converged after 7 iterations. iteration 408: trace = 2.53222669796431 (5.37939e-08% change) linmin: converged after 7 iterations. iteration 409: trace = 2.53222669554264 (9.5634e-08% change) linmin: converged after 6 iterations. iteration 410: trace = 2.53222669284764 (1.06428e-07% change) linmin: converged after 11 iterations. iteration 411: trace = 2.532226691335092 (5.97319e-08% change) large trace change predicted (1.24133e-07%) linmin: converged after 4 iterations. iteration 412: trace = 2.532226688191721 (1.24135e-07% change) linmin: converged after 14 iterations. iteration 413: trace = 2.532226684404653 (1.49555e-07% change) linmin: converged after 4 iterations. iteration 414: trace = 2.532226683623242 (3.08587e-08% change) large trace change predicted (1.27284e-07%) linmin: converged after 5 iterations. iteration 415: trace = 2.532226680400108 (1.27285e-07% change) linmin: converged after 4 iterations. iteration 416: trace = 2.532226679110584 (5.09245e-08% change) linmin: converged after 8 iterations. iteration 417: trace = 2.532226677977577 (4.47435e-08% change) linmin: converged after 3 iterations. iteration 418: trace = 2.532226676546075 (5.65314e-08% change) linmin: converged after 4 iterations. iteration 419: trace = 2.53222667592058 (2.47014e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 420: trace = 2.532226675493463 (1.68673e-08% change) large trace change predicted (3.87553e-08%) linmin: converged after 6 iterations. iteration 421: trace = 2.532226674512091 (3.87553e-08% change) linmin: converged after 6 iterations. iteration 422: trace = 2.532226673922648 (2.32776e-08% change) linmin: converged after 4 iterations. iteration 423: trace = 2.532226672942695 (3.86992e-08% change) large trace change predicted (8.20289e-08%) linmin: converged after 4 iterations. iteration 424: trace = 2.53222667086553 (8.20292e-08% change) linmin: converged after 4 iterations. iteration 425: trace = 2.532226670389969 (1.87803e-08% change) large trace change predicted (9.7365e-08%) linmin: converged after 4 iterations. iteration 426: trace = 2.532226667924473 (9.73648e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.53222666650955 (5.58766e-08% change) linmin: converged after 6 iterations. iteration 428: trace = 2.532226665027508 (5.85272e-08% change) linmin: converged after 4 iterations. iteration 429: trace = 2.532226663124199 (7.51635e-08% change) linmin: converged after 7 iterations. iteration 430: trace = 2.532226662147229 (3.85814e-08% change) linmin: converged after 7 iterations. iteration 431: trace = 2.532226660826446 (5.2159e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.532226659094629 (6.83911e-08% change) linmin: converged after 5 iterations. iteration 433: trace = 2.532226658647822 (1.76448e-08% change) large trace change predicted (5.71739e-08%) linmin: converged after 4 iterations. iteration 434: trace = 2.532226657200071 (5.7173e-08% change) linmin: converged after 10 iterations. iteration 435: trace = 2.532226655897789 (5.14283e-08% change) linmin: converged after 4 iterations. iteration 436: trace = 2.532226655650127 (9.7804e-09% change) large trace change predicted (2.04904e-08%) linmin: converged after 16 iterations. iteration 437: trace = 2.53222665513126 (2.04906e-08% change) linmin: converged after 4 iterations. iteration 438: trace = 2.532226654220309 (3.59743e-08% change) linmin: converged after 4 iterations. iteration 439: trace = 2.532226654016821 (8.03593e-09% change) large trace change predicted (4.26703e-08%) linmin: converged after 24 iterations. iteration 440: trace = 2.532226652936318 (4.26701e-08% change) linmin: converged after 7 iterations. iteration 441: trace = 2.532226652307979 (2.48137e-08% change) linmin: converged after 22 iterations. iteration 442: trace = 2.532226651293117 (4.00779e-08% change) linmin: converged after 7 iterations. iteration 443: trace = 2.532226649812017 (5.849e-08% change) linmin: converged after 6 iterations. iteration 444: trace = 2.532226648554367 (4.96658e-08% change) linmin: converged after 12 iterations. iteration 445: trace = 2.532226647525179 (4.06436e-08% change) linmin: converged after 8 iterations. iteration 446: trace = 2.532226645471285 (8.11102e-08% change) linmin: converged after 3 iterations. iteration 447: trace = 2.532226644235352 (4.88082e-08% change) linmin: converged after 7 iterations. iteration 448: trace = 2.532226643803798 (1.70424e-08% change) large trace change predicted (4.14197e-08%) linmin: converged after 5 iterations. iteration 449: trace = 2.532226642754956 (4.14197e-08% change) linmin: converged after 15 iterations. iteration 450: trace = 2.532226642082326 (2.65628e-08% change) linmin: converged after 19 iterations. iteration 451: trace = 2.532226641716459 (1.44484e-08% change) large trace change predicted (3.51394e-08%) linmin: converged after 4 iterations. iteration 452: trace = 2.532226640826662 (3.51389e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.532226640135402 (2.72985e-08% change) linmin: converged after 5 iterations. iteration 454: trace = 2.532226639517137 (2.44159e-08% change) linmin: converged after 4 iterations. iteration 455: trace = 2.532226638282867 (4.87425e-08% change) linmin: converged after 4 iterations. iteration 456: trace = 2.532226638026622 (1.01193e-08% change) large trace change predicted (3.28326e-08%) linmin: converged after 4 iterations. iteration 457: trace = 2.532226637195224 (3.28327e-08% change) linmin: converged after 4 iterations. iteration 458: trace = 2.532226636264558 (3.67529e-08% change) linmin: converged after 8 iterations. iteration 459: trace = 2.532226635688844 (2.27355e-08% change) large trace change predicted (6.28703e-08%) linmin: converged after 16 iterations. iteration 460: trace = 2.532226634096801 (6.28712e-08% change) linmin: converged after 6 iterations. iteration 461: trace = 2.532226633566544 (2.09404e-08% change) large trace change predicted (6.11319e-08%) linmin: converged after 9 iterations. iteration 462: trace = 2.532226632018534 (6.11324e-08% change) linmin: converged after 5 iterations. iteration 463: trace = 2.532226630398428 (6.39795e-08% change) linmin: converged after 6 iterations. iteration 464: trace = 2.532226629990468 (1.61107e-08% change) large trace change predicted (3.77254e-08%) linmin: converged after 12 iterations. iteration 465: trace = 2.53222662903518 (3.77252e-08% change) linmin: converged after 5 iterations. iteration 466: trace = 2.532226628138766 (3.54002e-08% change) linmin: converged after 4 iterations. iteration 467: trace = 2.532226627861705 (1.09414e-08% change) large trace change predicted (2.94572e-08%) linmin: converged after 4 iterations. iteration 468: trace = 2.532226627115773 (2.94576e-08% change) linmin: converged after 4 iterations. iteration 469: trace = 2.532226626456777 (2.60244e-08% change) linmin: converged after 4 iterations. iteration 470: trace = 2.532226626319011 (5.44048e-09% change) large trace change predicted (2.74546e-08%) linmin: converged after 4 iterations. iteration 471: trace = 2.532226625623806 (2.74543e-08% change) linmin: converged after 4 iterations. iteration 472: trace = 2.53222662505919 (2.22972e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.532226624813997 (9.68289e-09% change) large trace change predicted (3.7178e-08%) linmin: converged after 4 iterations. iteration 474: trace = 2.532226623872571 (3.71778e-08% change) linmin: converged after 13 iterations. iteration 475: trace = 2.532226622403658 (5.80087e-08% change) linmin: converged after 24 iterations. iteration 476: trace = 2.532226622168948 (9.26892e-09% change) large trace change predicted (4.57674e-08%) linmin: converged after 16 iterations. iteration 477: trace = 2.53222662101005 (4.5766e-08% change) linmin: converged after 4 iterations. iteration 478: trace = 2.532226620368379 (2.53402e-08% change) linmin: converged after 2 iterations. iteration 479: trace = 2.532226620116673 (9.9401e-09% change) large trace change predicted (3.61064e-08%) linmin: converged after 4 iterations. iteration 480: trace = 2.532226619202394 (3.61057e-08% change) linmin: converged after 6 iterations. iteration 481: trace = 2.532226618399125 (3.17218e-08% change) linmin: converged after 4 iterations. iteration 482: trace = 2.532226618157492 (9.54233e-09% change) large trace change predicted (2.0967e-08%) linmin: converged after 4 iterations. iteration 483: trace = 2.532226617626567 (2.09667e-08% change) linmin: converged after 4 iterations. iteration 484: trace = 2.532226617416627 (8.29073e-09% change) linmin: converged after 18 iterations. iteration 485: trace = 2.532226617137782 (1.10118e-08% change) linmin: converged after 13 iterations. iteration 486: trace = 2.532226616844827 (1.15691e-08% change) linmin: converged after 7 iterations. iteration 487: trace = 2.532226616733817 (4.38387e-09% change) large trace change predicted (9.37229e-09%) linmin: converged after 18 iterations. iteration 488: trace = 2.532226616496495 (9.37207e-09% change) large trace change predicted (3.00344e-08%) linmin: converged after 8 iterations. iteration 489: trace = 2.532226615735953 (3.00345e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 490: trace = 2.532226615443588 (1.15458e-08% change) linmin: converged after 2 iterations. iteration 491: trace = 2.532226615044469 (1.57616e-08% change) linmin: converged after 6 iterations. iteration 492: trace = 2.53222661497231 (2.84965e-09% change) large trace change predicted (8.95187e-09%) linmin: converged after 6 iterations. iteration 493: trace = 2.53222661474563 (8.95181e-09% change) linmin: converged after 3 iterations. iteration 494: trace = 2.53222661453013 (8.5103e-09% change) linmin: converged after 14 iterations. iteration 495: trace = 2.532226614447989 (3.24381e-09% change) large trace change predicted (1.44164e-08%) linmin: converged after 4 iterations. iteration 496: trace = 2.532226614082933 (1.44164e-08% change) linmin: converged after 4 iterations. iteration 497: trace = 2.532226613817419 (1.04854e-08% change) linmin: converged after 4 iterations. iteration 498: trace = 2.532226613634143 (7.23776e-09% change) large trace change predicted (1.99518e-08%) linmin: converged after 4 iterations. iteration 499: trace = 2.532226613128916 (1.99519e-08% change) linmin: converged after 4 iterations. iteration 500: trace = 2.532226612863586 (1.04781e-08% change) linmin: converged after 6 iterations. iteration 501: trace = 2.532226612570639 (1.15688e-08% change) linmin: converged after 4 iterations. iteration 502: trace = 2.532226612226721 (1.35816e-08% change) linmin: converged after 8 iterations. iteration 503: trace = 2.532226612029891 (7.77302e-09% change) linmin: converged after 5 iterations. iteration 504: trace = 2.532226611670453 (1.41945e-08% change) linmin: converged after 6 iterations. iteration 505: trace = 2.532226611196819 (1.87043e-08% change) linmin: converged after 20 iterations. iteration 506: trace = 2.53222661112223 (2.94558e-09% change) large trace change predicted (1.06021e-08%) linmin: converged after 6 iterations. iteration 507: trace = 2.532226610853749 (1.06026e-08% change) linmin: converged after 4 iterations. iteration 508: trace = 2.53222661068053 (6.84059e-09% change) linmin: converged after 17 iterations. iteration 509: trace = 2.532226610616374 (2.53357e-09% change) large trace change predicted (8.07521e-09%) linmin: converged after 4 iterations. iteration 510: trace = 2.532226610411894 (8.07509e-09% change) linmin: converged after 4 iterations. iteration 511: trace = 2.53222661031714 (3.74196e-09% change) linmin: converged after 4 iterations. iteration 512: trace = 2.532226610182449 (5.31905e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.532226609970626 (8.36509e-09% change) linmin: converged after 4 iterations. iteration 514: trace = 2.532226609857379 (4.47222e-09% change) linmin: converged after 5 iterations. iteration 515: trace = 2.532226609760135 (3.84027e-09% change) large trace change predicted (9.47579e-09%) linmin: converged after 4 iterations. iteration 516: trace = 2.532226609520188 (9.47574e-09% change) linmin: converged after 9 iterations. iteration 517: trace = 2.532226609287503 (9.18895e-09% change) linmin: converged after 4 iterations. iteration 518: trace = 2.532226609214028 (2.90158e-09% change) large trace change predicted (1.03335e-08%) linmin: converged after 4 iterations. iteration 519: trace = 2.53222660895237 (1.03331e-08% change) linmin: converged after 4 iterations. iteration 520: trace = 2.532226608716047 (9.33258e-09% change) linmin: converged after 5 iterations. iteration 521: trace = 2.532226608640769 (2.9728e-09% change) linmin: converged after 4 iterations. iteration 522: trace = 2.532226608517133 (4.88251e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.532226608355188 (6.39536e-09% change) linmin: converged after 18 iterations. iteration 524: trace = 2.5322266083288 (1.0421e-09% change) large trace change predicted (6.24975e-09%) linmin: converged after 4 iterations. iteration 525: trace = 2.532226608170548 (6.24951e-09% change) linmin: converged after 25 iterations. iteration 526: trace = 2.532226608136921 (1.32797e-09% change) large trace change predicted (3.9053e-09%) linmin: converged after 5 iterations. iteration 527: trace = 2.532226608038034 (3.90513e-09% change) linmin: converged after 4 iterations. iteration 528: trace = 2.532226607956137 (3.23421e-09% change) linmin: converged after 4 iterations. iteration 529: trace = 2.532226607927542 (1.12922e-09% change) large trace change predicted (3.80954e-09%) linmin: converged after 24 iterations. iteration 530: trace = 2.532226607831084 (3.80921e-09% change) linmin: converged after 7 iterations. iteration 531: trace = 2.532226607755488 (2.98536e-09% change) linmin: converged after 5 iterations. iteration 532: trace = 2.532226607721565 (1.33965e-09% change) large trace change predicted (4.88725e-09%) linmin: converged after 3 iterations. iteration 533: trace = 2.532226607597808 (4.8873e-09% change) linmin: converged after 5 iterations. iteration 534: trace = 2.532226607522797 (2.96224e-09% change) linmin: converged after 26 iterations. iteration 535: trace = 2.53222660742734 (3.7697e-09% change) linmin: converged after 4 iterations. iteration 536: trace = 2.532226607285777 (5.59043e-09% change) linmin: converged after 4 iterations. iteration 537: trace = 2.532226607195929 (3.5482e-09% change) linmin: converged after 3 iterations. iteration 538: trace = 2.532226607145792 (1.97997e-09% change) linmin: converged after 25 iterations. iteration 539: trace = 2.532226607053331 (3.65136e-09% change) linmin: converged after 5 iterations. iteration 540: trace = 2.532226607017517 (1.41431e-09% change) linmin: converged after 4 iterations. iteration 541: trace = 2.532226606980256 (1.47148e-09% change) linmin: converged after 21 iterations. iteration 542: trace = 2.53222660692834 (2.0502e-09% change) linmin: converged after 7 iterations. iteration 543: trace = 2.532226606900785 (1.08818e-09% change) linmin: converged after 5 iterations. iteration 544: trace = 2.532226606886538 (5.6262e-10% change) large trace change predicted (2.71182e-09%) linmin: converged after 7 iterations. iteration 545: trace = 2.532226606817869 (2.71179e-09% change) linmin: converged after 3 iterations. iteration 546: trace = 2.532226606798261 (7.74368e-10% change) large trace change predicted (2.57727e-09%) linmin: converged after 4 iterations. iteration 547: trace = 2.532226606732987 (2.57771e-09% change) linmin: converged after 22 iterations. iteration 548: trace = 2.532226606654048 (3.11736e-09% change) linmin: converged after 4 iterations. iteration 549: trace = 2.53222660662761 (1.04409e-09% change) large trace change predicted (2.53059e-09%) linmin: converged after 6 iterations. iteration 550: trace = 2.532226606563538 (2.53024e-09% change) linmin: converged after 11 iterations. iteration 551: trace = 2.532226606482841 (3.18679e-09% change) linmin: converged after 4 iterations. iteration 552: trace = 2.532226606459311 (9.29224e-10% change) large trace change predicted (2.58732e-09%) linmin: converged after 5 iterations. iteration 553: trace = 2.532226606393785 (2.58769e-09% change) linmin: converged after 15 iterations. iteration 554: trace = 2.532226606306193 (3.45908e-09% change) linmin: converged after 10 iterations. iteration 555: trace = 2.532226606290174 (6.3263e-10% change) large trace change predicted (2.65653e-09%) linmin: converged after 18 iterations. iteration 556: trace = 2.532226606222913 (2.65618e-09% change) linmin: converged after 6 iterations. iteration 557: trace = 2.532226606201254 (8.55356e-10% change) linmin: converged after 4 iterations. iteration 558: trace = 2.532226606178723 (8.89765e-10% change) linmin: converged after 6 iterations. iteration 559: trace = 2.532226606152547 (1.0337e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.532226606138769 (5.44118e-10% change) linmin: converged after 6 iterations. iteration 561: trace = 2.532226606124821 (5.50818e-10% change) large trace change predicted (1.15268e-09%) linmin: converged after 12 iterations. iteration 562: trace = 2.532226606095637 (1.15249e-09% change) linmin: converged after 21 iterations. iteration 563: trace = 2.532226606077214 (7.27561e-10% change) large trace change predicted (1.59868e-09%) linmin: converged after 9 iterations. iteration 564: trace = 2.532226606036726 (1.59891e-09% change) linmin: converged after 4 iterations. iteration 565: trace = 2.532226605987478 (1.94484e-09% change) linmin: converged after 3 iterations. iteration 566: trace = 2.532226605965412 (8.71421e-10% change) large trace change predicted (2.07106e-09%) linmin: converged after 4 iterations. iteration 567: trace = 2.532226605912968 (2.07106e-09% change) linmin: converged after 2 iterations. iteration 568: trace = 2.532226605884515 (1.12363e-09% change) linmin: converged after 4 iterations. iteration 569: trace = 2.532226605847781 (1.45065e-09% change) linmin: converged after 3 iterations. iteration 570: trace = 2.532226605794655 (2.09799e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.532226605780342 (5.65251e-10% change) large trace change predicted (1.6543e-09%) linmin: converged after 4 iterations. iteration 572: trace = 2.532226605738452 (1.65428e-09% change) linmin: converged after 3 iterations. iteration 573: trace = 2.532226605697139 (1.63148e-09% change) linmin: converged after 6 iterations. iteration 574: trace = 2.532226605689739 (2.92227e-10% change) large trace change predicted (1.28387e-09%) linmin: converged after 18 iterations. iteration 575: trace = 2.532226605657222 (1.28415e-09% change) linmin: converged after 4 iterations. iteration 576: trace = 2.532226605642729 (5.72354e-10% change) linmin: converged after 6 iterations. iteration 577: trace = 2.532226605636149 (2.59836e-10% change) large trace change predicted (1.03721e-09%) linmin: converged after 18 iterations. iteration 578: trace = 2.532226605609885 (1.0372e-09% change) linmin: converged after 5 iterations. iteration 579: trace = 2.532226605590671 (7.58742e-10% change) linmin: converged after 3 iterations. iteration 580: trace = 2.532226605580481 (4.02433e-10% change) large trace change predicted (1.25496e-09%) linmin: converged after 6 iterations. iteration 581: trace = 2.532226605548697 (1.25516e-09% change) linmin: converged after 4 iterations. iteration 582: trace = 2.532226605521011 (1.09336e-09% change) linmin: converged after 6 iterations. iteration 583: trace = 2.532226605509007 (4.74056e-10% change) large trace change predicted (2.23151e-09%) linmin: converged after 3 iterations. iteration 584: trace = 2.5322266054525 (2.23151e-09% change) linmin: converged after 3 iterations. iteration 585: trace = 2.532226605418284 (1.35125e-09% change) linmin: converged after 4 iterations. iteration 586: trace = 2.532226605390208 (1.10874e-09% change) linmin: converged after 4 iterations. iteration 587: trace = 2.532226605345729 (1.75652e-09% change) linmin: converged after 4 iterations. iteration 588: trace = 2.532226605334294 (4.51556e-10% change) large trace change predicted (9.47294e-10%) linmin: converged after 9 iterations. iteration 589: trace = 2.532226605310306 (9.47323e-10% change) linmin: converged after 4 iterations. iteration 590: trace = 2.532226605289418 (8.24876e-10% change) linmin: converged after 8 iterations. iteration 591: trace = 2.532226605262301 (1.07089e-09% change) linmin: converged after 3 iterations. iteration 592: trace = 2.532226605256451 (2.31021e-10% change) large trace change predicted (1.16166e-09%) linmin: converged after 2 iterations. iteration 593: trace = 2.532226605227016 (1.1624e-09% change) linmin: converged after 4 iterations. iteration 594: trace = 2.532226605203669 (9.21981e-10% change) linmin: converged after 4 iterations. iteration 595: trace = 2.5322266051893 (5.67461e-10% change) linmin: converged after 18 iterations. iteration 596: trace = 2.532226605167502 (8.60846e-10% change) linmin: converged after 4 iterations. iteration 597: trace = 2.532226605147977 (7.71036e-10% change) linmin: converged after 7 iterations. iteration 598: trace = 2.53222660512347 (9.67824e-10% change) linmin: converged after 25 iterations. iteration 599: trace = 2.532226605080746 (1.68718e-09% change) linmin: converged after 22 iterations. iteration 600: trace = 2.532226605050802 (1.18252e-09% change) linmin: converged after 2 iterations. iteration 601: trace = 2.532226605034923 (6.27106e-10% change) large trace change predicted (1.46982e-09%) linmin: converged after 5 iterations. iteration 602: trace = 2.532226604997704 (1.46978e-09% change) linmin: converged after 4 iterations. iteration 603: trace = 2.53222660498625 (4.52345e-10% change) large trace change predicted (1.13497e-09%) linmin: converged after 6 iterations. iteration 604: trace = 2.532226604957511 (1.13494e-09% change) linmin: converged after 10 iterations. iteration 605: trace = 2.532226604934842 (8.95202e-10% change) linmin: converged after 7 iterations. iteration 606: trace = 2.532226604927949 (2.72217e-10% change) large trace change predicted (1.02475e-09%) linmin: converged after 16 iterations. iteration 607: trace = 2.532226604902005 (1.02456e-09% change) linmin: converged after 6 iterations. iteration 608: trace = 2.532226604883729 (7.21756e-10% change) linmin: converged after 8 iterations. iteration 609: trace = 2.532226604880142 (1.4165e-10% change) large trace change predicted (5.91534e-10%) linmin: converged after 10 iterations. iteration 610: trace = 2.532226604865174 (5.91101e-10% change) linmin: converged after 4 iterations. iteration 611: trace = 2.532226604850425 (5.82455e-10% change) linmin: converged after 17 iterations. iteration 612: trace = 2.532226604833139 (6.82612e-10% change) linmin: converged after 6 iterations. iteration 613: trace = 2.532226604825081 (3.18218e-10% change) large trace change predicted (1.41162e-09%) linmin: converged after 4 iterations. iteration 614: trace = 2.532226604789335 (1.41165e-09% change) linmin: converged after 6 iterations. iteration 615: trace = 2.532226604780225 (3.59764e-10% change) large trace change predicted (1.05301e-09%) linmin: converged after 4 iterations. iteration 616: trace = 2.532226604753558 (1.05313e-09% change) linmin: converged after 5 iterations. iteration 617: trace = 2.532226604734905 (7.3661e-10% change) linmin: converged after 5 iterations. iteration 618: trace = 2.532226604720409 (5.72477e-10% change) linmin: converged after 14 iterations. iteration 619: trace = 2.532226604707265 (5.19057e-10% change) linmin: converged after 2 iterations. iteration 620: trace = 2.532226604685252 (8.69316e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.532226604680823 (1.74901e-10% change) large trace change predicted (5.75452e-10%) linmin: converged after 16 iterations. iteration 622: trace = 2.53222660466625 (5.75475e-10% change) linmin: converged after 8 iterations. iteration 623: trace = 2.532226604657313 (3.5296e-10% change) linmin: converged after 2 iterations. iteration 624: trace = 2.53222660465038 (2.73778e-10% change) linmin: converged after 4 iterations. iteration 625: trace = 2.532226604642506 (3.1094e-10% change) linmin: converged after 16 iterations. iteration 626: trace = 2.532226604635102 (2.92403e-10% change) linmin: converged after 6 iterations. iteration 627: trace = 2.532226604633134 (7.77087e-11% change) Finished solving for bands 1 to 10 after 627 iterations. tmfreqs:, 8, 0.333333, 0.333333, 0, 0.471405, 0.210879, 0.35463, 0.361245, 0.439486, 0.507022, 0.508252, 0.543815, 0.620599, 0.646589, 0.651154 elapsed time for k point: 12.73344087600708 solve_kpoint (0.166667,0.166667,0): Solving for bands 1 to 10... linmin: converged after 5 iterations. iteration 1: trace = 2.553206221680581 (2.55578% change) linmin: converged after 6 iterations. iteration 2: trace = 2.48891356078405 (2.55022% change) linmin: converged after 4 iterations. iteration 3: trace = 2.465199503924426 (0.957348% change) linmin: converged after 5 iterations. iteration 4: trace = 2.46084310415172 (0.176872% change) large trace change predicted (0.419623%) linmin: converged after 4 iterations. iteration 5: trace = 2.450658583331204 (0.414721% change) linmin: converged after 4 iterations. iteration 6: trace = 2.447937491967235 (0.111097% change) linmin: converged after 5 iterations. iteration 7: trace = 2.445239403359288 (0.11028% change) linmin: converged after 4 iterations. iteration 8: trace = 2.442317561097169 (0.119562% change) linmin: converged after 4 iterations. iteration 9: trace = 2.44140925349742 (0.0371973% change) linmin: converged after 3 iterations. iteration 10: trace = 2.439907648651203 (0.0615246% change) linmin: converged after 4 iterations. iteration 11: trace = 2.43940342973242 (0.0206676% change) linmin: converged after 3 iterations. iteration 12: trace = 2.438989981088599 (0.0169502% change) linmin: converged after 3 iterations. iteration 13: trace = 2.438435780755584 (0.0227251% change) linmin: converged after 4 iterations. iteration 14: trace = 2.438281780471905 (0.00631574% change) large trace change predicted (0.0151055%) linmin: converged after 3 iterations. iteration 15: trace = 2.437911268206205 (0.0151968% change) linmin: converged after 3 iterations. iteration 16: trace = 2.437756509718134 (0.0063482% change) linmin: converged after 3 iterations. iteration 17: trace = 2.437475062818379 (0.011546% change) linmin: converged after 4 iterations. iteration 18: trace = 2.43703304641871 (0.0181358% change) linmin: converged after 4 iterations. iteration 19: trace = 2.436850985210067 (0.00747089% change) linmin: converged after 4 iterations. iteration 20: trace = 2.436522616304453 (0.013476% change) linmin: converged after 3 iterations. iteration 21: trace = 2.436395611582169 (0.00521268% change) large trace change predicted (0.0178794%) linmin: converged after 4 iterations. iteration 22: trace = 2.435954737440773 (0.018097% change) linmin: converged after 4 iterations. iteration 23: trace = 2.435746548033289 (0.00854689% change) linmin: converged after 4 iterations. iteration 24: trace = 2.435488750587958 (0.0105845% change) linmin: converged after 4 iterations. iteration 25: trace = 2.435193460474172 (0.0121252% change) linmin: converged after 3 iterations. iteration 26: trace = 2.435111833144077 (0.00335204% change) large trace change predicted (0.0170021%) linmin: converged after 3 iterations. iteration 27: trace = 2.43469482985178 (0.0171261% change) linmin: converged after 3 iterations. iteration 28: trace = 2.434620996611131 (0.00303259% change) large trace change predicted (0.0100124%) linmin: converged after 4 iterations. iteration 29: trace = 2.434376912234995 (0.0100261% change) linmin: converged after 5 iterations. iteration 30: trace = 2.43419325187207 (0.00754474% change) linmin: converged after 3 iterations. iteration 31: trace = 2.434081322250106 (0.00459833% change) linmin: converged after 5 iterations. iteration 32: trace = 2.43391404623353 (0.00687248% change) linmin: converged after 3 iterations. iteration 33: trace = 2.433862509197497 (0.00211748% change) large trace change predicted (0.00703875%) linmin: converged after 3 iterations. iteration 34: trace = 2.433691154478418 (0.00704069% change) linmin: converged after 4 iterations. iteration 35: trace = 2.433624337505446 (0.00274554% change) large trace change predicted (0.00707874%) linmin: converged after 3 iterations. iteration 36: trace = 2.433451878551399 (0.00708676% change) linmin: converged after 3 iterations. iteration 37: trace = 2.433377332568779 (0.00306343% change) linmin: converged after 4 iterations. iteration 38: trace = 2.433271914661328 (0.00433226% change) linmin: converged after 3 iterations. iteration 39: trace = 2.433178259803009 (0.003849% change) linmin: converged after 3 iterations. iteration 40: trace = 2.433135884749246 (0.00174157% change) large trace change predicted (0.00592581%) linmin: converged after 3 iterations. iteration 41: trace = 2.432991524414242 (0.00593327% change) linmin: converged after 3 iterations. iteration 42: trace = 2.432956083904433 (0.00145667% change) large trace change predicted (0.00705928%) linmin: converged after 3 iterations. iteration 43: trace = 2.432784016593005 (0.00707261% change) linmin: converged after 4 iterations. iteration 44: trace = 2.432719864934984 (0.002637% change) large trace change predicted (0.00567874%) linmin: converged after 3 iterations. iteration 45: trace = 2.432580687348562 (0.00572123% change) linmin: converged after 3 iterations. iteration 46: trace = 2.432479379338495 (0.00416472% change) linmin: converged after 3 iterations. iteration 47: trace = 2.432285042794907 (0.00798956% change) linmin: converged after 3 iterations. iteration 48: trace = 2.432170808943507 (0.00469668% change) linmin: converged after 4 iterations. iteration 49: trace = 2.432052622647903 (0.00485941% change) linmin: converged after 4 iterations. iteration 50: trace = 2.431877546560799 (0.00719896% change) linmin: converged after 3 iterations. iteration 51: trace = 2.431795719559632 (0.00336482% change) linmin: converged after 3 iterations. iteration 52: trace = 2.431696393891712 (0.00408454% change) linmin: converged after 4 iterations. iteration 53: trace = 2.431636760277184 (0.00245238% change) large trace change predicted (0.00592315%) linmin: converged after 3 iterations. iteration 54: trace = 2.431492404116106 (0.00593676% change) linmin: converged after 4 iterations. iteration 55: trace = 2.431457162942928 (0.00144937% change) large trace change predicted (0.00664181%) linmin: converged after 3 iterations. iteration 56: trace = 2.431295745583637 (0.00663893% change) linmin: converged after 3 iterations. iteration 57: trace = 2.431257083117029 (0.00159021% change) large trace change predicted (0.00464796%) linmin: converged after 4 iterations. iteration 58: trace = 2.431144088626962 (0.00464768% change) linmin: converged after 4 iterations. iteration 59: trace = 2.431090062211807 (0.00222229% change) linmin: converged after 4 iterations. iteration 60: trace = 2.431016706095293 (0.00301746% change) linmin: converged after 3 iterations. iteration 61: trace = 2.430957069106225 (0.0024532% change) linmin: converged after 4 iterations. iteration 62: trace = 2.430908617688924 (0.00199312% change) linmin: converged after 4 iterations. iteration 63: trace = 2.430849646073965 (0.00242594% change) linmin: converged after 3 iterations. iteration 64: trace = 2.430813248378599 (0.00149734% change) linmin: converged after 5 iterations. iteration 65: trace = 2.43074333275598 (0.00287626% change) linmin: converged after 3 iterations. iteration 66: trace = 2.430720451057193 (0.00094135% change) large trace change predicted (0.00257253%) linmin: converged after 3 iterations. iteration 67: trace = 2.43065783473218 (0.00257607% change) linmin: converged after 4 iterations. iteration 68: trace = 2.430628268300632 (0.0012164% change) large trace change predicted (0.00251896%) linmin: converged after 3 iterations. iteration 69: trace = 2.430567036278524 (0.00251922% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.430539129163158 (0.00114818% change) linmin: converged after 3 iterations. iteration 71: trace = 2.430504616436809 (0.00141997% change) linmin: converged after 4 iterations. iteration 72: trace = 2.430479160966565 (0.00104734% change) linmin: converged after 4 iterations. iteration 73: trace = 2.430467719097353 (0.000470767% change) linmin: converged after 3 iterations. iteration 74: trace = 2.430449169402523 (0.000763218% change) linmin: converged after 3 iterations. iteration 75: trace = 2.430430819274576 (0.000755013% change) linmin: converged after 3 iterations. iteration 76: trace = 2.430421416326485 (0.000386885% change) large trace change predicted (0.000998674%) linmin: converged after 5 iterations. iteration 77: trace = 2.430397170000086 (0.000997623% change) linmin: converged after 3 iterations. iteration 78: trace = 2.430362071235476 (0.00144417% change) linmin: converged after 4 iterations. iteration 79: trace = 2.43034979166542 (0.000505258% change) large trace change predicted (0.00196789%) linmin: converged after 3 iterations. iteration 80: trace = 2.430301925051948 (0.00196956% change) linmin: converged after 17 iterations. iteration 81: trace = 2.430250561903287 (0.00211347% change) linmin: converged after 4 iterations. iteration 82: trace = 2.430233115417473 (0.000717891% change) large trace change predicted (0.00378132%) linmin: converged after 4 iterations. iteration 83: trace = 2.430141282638945 (0.00377884% change) linmin: converged after 3 iterations. iteration 84: trace = 2.430107729386463 (0.00138072% change) linmin: converged after 3 iterations. iteration 85: trace = 2.430052054670437 (0.00229107% change) linmin: converged after 5 iterations. iteration 86: trace = 2.430006091898554 (0.00189145% change) linmin: converged after 7 iterations. iteration 87: trace = 2.429964689274548 (0.00170382% change) linmin: converged after 3 iterations. iteration 88: trace = 2.429930838606015 (0.00139306% change) linmin: converged after 3 iterations. iteration 89: trace = 2.429891868095913 (0.00160378% change) linmin: converged after 3 iterations. iteration 90: trace = 2.429864566771172 (0.00112357% change) linmin: converged after 4 iterations. iteration 91: trace = 2.429844028648026 (0.000845241% change) linmin: converged after 17 iterations. iteration 92: trace = 2.429825124482 (0.000778002% change) linmin: converged after 5 iterations. iteration 93: trace = 2.429820307031026 (0.000198263% change) linmin: converged after 3 iterations. iteration 94: trace = 2.429811489210155 (0.000362901% change) linmin: converged after 5 iterations. iteration 95: trace = 2.429799351019589 (0.000499554% change) linmin: converged after 3 iterations. iteration 96: trace = 2.429796384209345 (0.000122101% change) large trace change predicted (0.000517057%) linmin: converged after 4 iterations. iteration 97: trace = 2.429783822312285 (0.000516995% change) linmin: converged after 4 iterations. iteration 98: trace = 2.429779176188033 (0.000191216% change) large trace change predicted (0.000404307%) linmin: converged after 3 iterations. iteration 99: trace = 2.429769358407512 (0.000404061% change) linmin: converged after 3 iterations. iteration 100: trace = 2.429751334627436 (0.000741793% change) linmin: converged after 4 iterations. iteration 101: trace = 2.429742352605952 (0.000369669% change) large trace change predicted (0.00141944%) linmin: converged after 4 iterations. iteration 102: trace = 2.429707992174702 (0.00141417% change) linmin: converged after 4 iterations. iteration 103: trace = 2.429664632613277 (0.00178457% change) linmin: converged after 4 iterations. iteration 104: trace = 2.429647045585335 (0.000723849% change) large trace change predicted (0.00236014%) linmin: converged after 4 iterations. iteration 105: trace = 2.429590050260671 (0.00234585% change) linmin: converged after 3 iterations. iteration 106: trace = 2.429561724742144 (0.00116586% change) linmin: converged after 4 iterations. iteration 107: trace = 2.42953515505053 (0.00109361% change) linmin: converged after 5 iterations. iteration 108: trace = 2.429519665032375 (0.000637573% change) linmin: converged after 5 iterations. iteration 109: trace = 2.429512022126598 (0.000314586% change) linmin: converged after 3 iterations. iteration 110: trace = 2.429498087555357 (0.000573556% change) linmin: converged after 3 iterations. iteration 111: trace = 2.429487519945834 (0.000434972% change) linmin: converged after 3 iterations. iteration 112: trace = 2.42948324395007 (0.000176004% change) large trace change predicted (0.000474577%) linmin: converged after 3 iterations. iteration 113: trace = 2.42947170709866 (0.00047487% change) linmin: converged after 3 iterations. iteration 114: trace = 2.429465139327126 (0.000270338% change) linmin: converged after 5 iterations. iteration 115: trace = 2.429459385570046 (0.000236833% change) large trace change predicted (0.000650862%) linmin: converged after 3 iterations. iteration 116: trace = 2.429443546676336 (0.000651953% change) linmin: converged after 13 iterations. iteration 117: trace = 2.429438048868982 (0.000226299% change) linmin: converged after 5 iterations. iteration 118: trace = 2.429427443295201 (0.000436545% change) linmin: converged after 3 iterations. iteration 119: trace = 2.429413271509384 (0.00058334% change) linmin: converged after 3 iterations. iteration 120: trace = 2.429408316184948 (0.000203972% change) large trace change predicted (0.000900917%) linmin: converged after 6 iterations. iteration 121: trace = 2.429386326019267 (0.00090517% change) linmin: converged after 4 iterations. iteration 122: trace = 2.429375631412208 (0.000440219% change) linmin: converged after 4 iterations. iteration 123: trace = 2.429364836826458 (0.000444337% change) large trace change predicted (0.00110621%) linmin: converged after 6 iterations. iteration 124: trace = 2.429337834084296 (0.00111152% change) linmin: converged after 3 iterations. iteration 125: trace = 2.429334077310085 (0.000154642% change) large trace change predicted (0.000524101%) linmin: converged after 4 iterations. iteration 126: trace = 2.429321327974368 (0.000524809% change) linmin: converged after 4 iterations. iteration 127: trace = 2.429312247681153 (0.00037378% change) linmin: converged after 4 iterations. iteration 128: trace = 2.429307013266377 (0.000215469% change) linmin: converged after 3 iterations. iteration 129: trace = 2.429299574266179 (0.000306219% change) linmin: converged after 4 iterations. iteration 130: trace = 2.429296422141316 (0.000129755% change) linmin: converged after 4 iterations. iteration 131: trace = 2.42929430636169 (8.70944e-05% change) linmin: converged after 4 iterations. iteration 132: trace = 2.429292120608778 (8.99748e-05% change) linmin: converged after 3 iterations. iteration 133: trace = 2.429291259743365 (3.54369e-05% change) large trace change predicted (0.000155579%) linmin: converged after 3 iterations. iteration 134: trace = 2.42928747856844 (0.000155649% change) linmin: converged after 4 iterations. iteration 135: trace = 2.42928566079622 (7.48274e-05% change) linmin: converged after 3 iterations. iteration 136: trace = 2.429283972697248 (6.94895e-05% change) linmin: converged after 9 iterations. iteration 137: trace = 2.429281362924337 (0.00010743% change) linmin: converged after 3 iterations. iteration 138: trace = 2.429278118852213 (0.00013354% change) linmin: converged after 3 iterations. iteration 139: trace = 2.429275614525207 (0.000103089% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 2.42927409598177 (6.25102e-05% change) linmin: converged after 5 iterations. iteration 141: trace = 2.42927289908012 (4.92699e-05% change) linmin: converged after 4 iterations. iteration 142: trace = 2.429271258249443 (6.75441e-05% change) linmin: converged after 3 iterations. iteration 143: trace = 2.429270235886694 (4.20852e-05% change) linmin: converged after 3 iterations. iteration 144: trace = 2.429268647958751 (6.53665e-05% change) linmin: converged after 7 iterations. iteration 145: trace = 2.42926704584085 (6.59506e-05% change) linmin: converged after 3 iterations. iteration 146: trace = 2.429266479973327 (2.32938e-05% change) large trace change predicted (8.08986e-05%) linmin: converged after 3 iterations. iteration 147: trace = 2.429264515434403 (8.08697e-05% change) linmin: converged after 4 iterations. iteration 148: trace = 2.42926334816456 (4.80504e-05% change) linmin: converged after 4 iterations. iteration 149: trace = 2.429261899908278 (5.96171e-05% change) linmin: converged after 3 iterations. iteration 150: trace = 2.429259840646419 (8.47691e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.429256957670471 (0.000118677% change) linmin: converged after 3 iterations. iteration 152: trace = 2.429255776060519 (4.86408e-05% change) large trace change predicted (0.000132907%) linmin: converged after 3 iterations. iteration 153: trace = 2.429252548958497 (0.000132843% change) linmin: converged after 4 iterations. iteration 154: trace = 2.429251754706228 (3.26953e-05% change) large trace change predicted (0.000118786%) linmin: converged after 17 iterations. iteration 155: trace = 2.429248871948371 (0.000118669% change) linmin: converged after 3 iterations. iteration 156: trace = 2.429246735918261 (8.79297e-05% change) linmin: converged after 3 iterations. iteration 157: trace = 2.429245833309891 (3.71559e-05% change) large trace change predicted (0.000116423%) linmin: converged after 8 iterations. iteration 158: trace = 2.429243005345469 (0.000116413% change) linmin: converged after 3 iterations. iteration 159: trace = 2.429241101779866 (7.83605e-05% change) linmin: converged after 4 iterations. iteration 160: trace = 2.429240335506347 (3.15437e-05% change) large trace change predicted (9.3507e-05%) linmin: converged after 3 iterations. iteration 161: trace = 2.429238064622663 (9.34813e-05% change) linmin: converged after 4 iterations. iteration 162: trace = 2.429235882997586 (8.9807e-05% change) linmin: converged after 4 iterations. iteration 163: trace = 2.429234980401422 (3.71556e-05% change) linmin: converged after 4 iterations. iteration 164: trace = 2.42923423123724 (3.08395e-05% change) linmin: converged after 4 iterations. iteration 165: trace = 2.429233750911721 (1.97727e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.429233088670296 (2.72613e-05% change) linmin: converged after 4 iterations. iteration 167: trace = 2.429232294868338 (3.26771e-05% change) linmin: converged after 3 iterations. iteration 168: trace = 2.429232092479231 (8.3314e-06% change) large trace change predicted (2.08687e-05%) linmin: converged after 3 iterations. iteration 169: trace = 2.429231585521984 (2.0869e-05% change) large trace change predicted (4.65916e-05%) linmin: converged after 5 iterations. iteration 170: trace = 2.429230452851343 (4.66267e-05% change) linmin: converged after 3 iterations. iteration 171: trace = 2.42923003641728 (1.71426e-05% change) large trace change predicted (4.9594e-05%) linmin: converged after 3 iterations. iteration 172: trace = 2.429228831028408 (4.96202e-05% change) large trace change predicted (0.000101481%) linmin: converged after 3 iterations. iteration 173: trace = 2.429226362009262 (0.000101638% change) linmin: converged after 8 iterations. iteration 174: trace = 2.429225417340648 (3.88876e-05% change) large trace change predicted (0.00015174%) linmin: converged after 5 iterations. iteration 175: trace = 2.429221720389118 (0.000152187% change) linmin: converged after 8 iterations. iteration 176: trace = 2.42922057521934 (4.71414e-05% change) large trace change predicted (0.000101914%) linmin: converged after 3 iterations. iteration 177: trace = 2.429218093805543 (0.000102149% change) linmin: converged after 3 iterations. iteration 178: trace = 2.429216776163412 (5.42414e-05% change) linmin: converged after 3 iterations. iteration 179: trace = 2.429216260438805 (2.12301e-05% change) linmin: converged after 3 iterations. iteration 180: trace = 2.429215479645262 (3.21418e-05% change) linmin: converged after 3 iterations. iteration 181: trace = 2.429214791117453 (2.83436e-05% change) linmin: converged after 3 iterations. iteration 182: trace = 2.42921465892592 (5.44174e-06% change) large trace change predicted (1.81693e-05%) linmin: converged after 3 iterations. iteration 183: trace = 2.429214217504786 (1.81714e-05% change) linmin: converged after 3 iterations. iteration 184: trace = 2.429213878554908 (1.39531e-05% change) linmin: converged after 4 iterations. iteration 185: trace = 2.429213475528831 (1.65908e-05% change) large trace change predicted (4.60529e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.429212356766668 (4.60545e-05% change) linmin: converged after 3 iterations. iteration 187: trace = 2.42921172171569 (2.61423e-05% change) linmin: converged after 3 iterations. iteration 188: trace = 2.429211037753644 (2.81557e-05% change) large trace change predicted (6.15626e-05%) linmin: converged after 3 iterations. iteration 189: trace = 2.429209541977092 (6.15746e-05% change) linmin: converged after 4 iterations. iteration 190: trace = 2.429207963346268 (6.49854e-05% change) linmin: converged after 5 iterations. iteration 191: trace = 2.4292070388716 (3.80566e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.429205426903361 (6.63578e-05% change) linmin: converged after 7 iterations. iteration 193: trace = 2.429204296054082 (4.65522e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.429202808309655 (6.12441e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.429201125104358 (6.92905e-05% change) linmin: converged after 3 iterations. iteration 196: trace = 2.429200275662924 (3.49679e-05% change) large trace change predicted (8.11891e-05%) linmin: converged after 3 iterations. iteration 197: trace = 2.42919830378711 (8.11739e-05% change) linmin: converged after 4 iterations. iteration 198: trace = 2.429196398587989 (7.84292e-05% change) linmin: converged after 3 iterations. iteration 199: trace = 2.429196159061805 (9.86031e-06% change) large trace change predicted (4.10336e-05%) linmin: converged after 4 iterations. iteration 200: trace = 2.429195162416827 (4.10278e-05% change) linmin: converged after 5 iterations. iteration 201: trace = 2.429194809229874 (1.45393e-05% change) linmin: converged after 4 iterations. iteration 202: trace = 2.429194551279223 (1.06188e-05% change) large trace change predicted (2.65693e-05%) linmin: converged after 3 iterations. iteration 203: trace = 2.429193905991623 (2.65639e-05% change) linmin: converged after 4 iterations. iteration 204: trace = 2.429193570087664 (1.38278e-05% change) linmin: converged after 4 iterations. iteration 205: trace = 2.429193222930634 (1.4291e-05% change) large trace change predicted (3.24251e-05%) linmin: converged after 3 iterations. iteration 206: trace = 2.429192435152539 (3.24296e-05% change) linmin: converged after 3 iterations. iteration 207: trace = 2.4291921630543 (1.12012e-05% change) large trace change predicted (2.38952e-05%) linmin: converged after 3 iterations. iteration 208: trace = 2.42919158249233 (2.38994e-05% change) large trace change predicted (0.000111098%) linmin: converged after 5 iterations. iteration 209: trace = 2.429188884189141 (0.000111078% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.429188417663049 (1.9205e-05% change) large trace change predicted (3.87924e-05%) linmin: converged after 3 iterations. iteration 211: trace = 2.429187475341786 (3.87916e-05% change) linmin: converged after 2 iterations. iteration 212: trace = 2.429186915967879 (2.30272e-05% change) linmin: converged after 3 iterations. iteration 213: trace = 2.429186735590805 (7.42541e-06% change) large trace change predicted (2.20942e-05%) linmin: converged after 3 iterations. iteration 214: trace = 2.429186198860606 (2.20951e-05% change) linmin: converged after 17 iterations. iteration 215: trace = 2.429185878642841 (1.31821e-05% change) linmin: converged after 5 iterations. iteration 216: trace = 2.429185770261154 (4.46165e-06% change) large trace change predicted (2.78323e-05%) linmin: converged after 4 iterations. iteration 217: trace = 2.429185094171956 (2.78319e-05% change) linmin: converged after 3 iterations. iteration 218: trace = 2.429184909013692 (7.62224e-06% change) large trace change predicted (1.53145e-05%) linmin: converged after 3 iterations. iteration 219: trace = 2.429184537014271 (1.53138e-05% change) linmin: converged after 3 iterations. iteration 220: trace = 2.42918417152118 (1.50459e-05% change) linmin: converged after 4 iterations. iteration 221: trace = 2.42918393213037 (9.85478e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.429183590611124 (1.4059e-05% change) linmin: converged after 3 iterations. iteration 223: trace = 2.429183130075418 (1.89585e-05% change) linmin: converged after 4 iterations. iteration 224: trace = 2.429182974161737 (6.41836e-06% change) large trace change predicted (2.32489e-05%) linmin: converged after 4 iterations. iteration 225: trace = 2.42918240945807 (2.32467e-05% change) linmin: converged after 3 iterations. iteration 226: trace = 2.429181944168396 (1.91542e-05% change) linmin: converged after 7 iterations. iteration 227: trace = 2.429181768390337 (7.2361e-06% change) large trace change predicted (3.06009e-05%) linmin: converged after 3 iterations. iteration 228: trace = 2.429181025453373 (3.05838e-05% change) linmin: converged after 5 iterations. iteration 229: trace = 2.429180461966678 (2.31966e-05% change) linmin: converged after 3 iterations. iteration 230: trace = 2.429180207737434 (1.04656e-05% change) large trace change predicted (4.05241e-05%) linmin: converged after 9 iterations. iteration 231: trace = 2.429179223611912 (4.05127e-05% change) linmin: converged after 5 iterations. iteration 232: trace = 2.429179025585875 (8.15197e-06% change) large trace change predicted (2.09963e-05%) linmin: converged after 5 iterations. iteration 233: trace = 2.429178515612528 (2.09937e-05% change) linmin: converged after 10 iterations. iteration 234: trace = 2.429178320911897 (8.01508e-06% change) linmin: converged after 5 iterations. iteration 235: trace = 2.429178248027359 (3.00038e-06% change) large trace change predicted (9.55952e-06%) linmin: converged after 4 iterations. iteration 236: trace = 2.42917801581976 (9.5591e-06% change) linmin: converged after 3 iterations. iteration 237: trace = 2.429177861901049 (6.33625e-06% change) linmin: converged after 18 iterations. iteration 238: trace = 2.429177747213046 (4.72127e-06% change) linmin: converged after 5 iterations. iteration 239: trace = 2.429177698299305 (2.01359e-06% change) large trace change predicted (1.11405e-05%) linmin: converged after 8 iterations. iteration 240: trace = 2.429177427738141 (1.1138e-05% change) linmin: converged after 3 iterations. iteration 241: trace = 2.429177305472837 (5.0332e-06% change) linmin: converged after 6 iterations. iteration 242: trace = 2.429177204659053 (4.15012e-06% change) large trace change predicted (1.7675e-05%) linmin: converged after 15 iterations. iteration 243: trace = 2.429176775531757 (1.76655e-05% change) linmin: converged after 2 iterations. iteration 244: trace = 2.429176676169531 (4.09037e-06% change) large trace change predicted (1.92215e-05%) linmin: converged after 8 iterations. iteration 245: trace = 2.429176209583188 (1.92076e-05% change) linmin: converged after 5 iterations. iteration 246: trace = 2.429175810985335 (1.64088e-05% change) linmin: converged after 4 iterations. iteration 247: trace = 2.429175606454512 (8.41976e-06% change) linmin: converged after 3 iterations. iteration 248: trace = 2.429175235324235 (1.5278e-05% change) linmin: converged after 3 iterations. iteration 249: trace = 2.429174806497148 (1.76532e-05% change) linmin: converged after 3 iterations. iteration 250: trace = 2.429174680882425 (5.17109e-06% change) large trace change predicted (1.79797e-05%) linmin: converged after 5 iterations. iteration 251: trace = 2.429174244340877 (1.79708e-05% change) linmin: converged after 3 iterations. iteration 252: trace = 2.429174062259734 (7.4956e-06% change) linmin: converged after 3 iterations. iteration 253: trace = 2.429173793528956 (1.10626e-05% change) linmin: converged after 4 iterations. iteration 254: trace = 2.42917345168899 (1.40723e-05% change) linmin: converged after 5 iterations. iteration 255: trace = 2.429173367085217 (3.48282e-06% change) linmin: converged after 3 iterations. iteration 256: trace = 2.429173285275176 (3.36781e-06% change) linmin: converged after 16 iterations. iteration 257: trace = 2.429173157686595 (5.25235e-06% change) linmin: converged after 19 iterations. iteration 258: trace = 2.429173124665559 (1.35935e-06% change) large trace change predicted (5.8885e-06%) linmin: converged after 3 iterations. iteration 259: trace = 2.429172981626833 (5.88837e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 2.429172805000309 (7.27106e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 2.429172679875048 (5.15094e-06% change) large trace change predicted (1.04768e-05%) linmin: converged after 5 iterations. iteration 262: trace = 2.429172425283692 (1.04806e-05% change) linmin: converged after 3 iterations. iteration 263: trace = 2.429172162836944 (1.0804e-05% change) linmin: converged after 4 iterations. iteration 264: trace = 2.429171853052371 (1.27527e-05% change) linmin: converged after 5 iterations. iteration 265: trace = 2.429171375270278 (1.96685e-05% change) linmin: converged after 3 iterations. iteration 266: trace = 2.429170756902879 (2.54559e-05% change) linmin: converged after 3 iterations. iteration 267: trace = 2.429170563713625 (7.95289e-06% change) large trace change predicted (1.94942e-05%) linmin: converged after 3 iterations. iteration 268: trace = 2.429170089903602 (1.9505e-05% change) linmin: converged after 7 iterations. iteration 269: trace = 2.429169997198031 (3.81635e-06% change) large trace change predicted (1.09782e-05%) linmin: converged after 3 iterations. iteration 270: trace = 2.429169730438092 (1.09815e-05% change) linmin: converged after 5 iterations. iteration 271: trace = 2.429169585969877 (5.94723e-06% change) linmin: converged after 4 iterations. iteration 272: trace = 2.429169513444048 (2.98562e-06% change) large trace change predicted (9.14273e-06%) linmin: converged after 3 iterations. iteration 273: trace = 2.429169291329733 (9.14363e-06% change) linmin: converged after 3 iterations. iteration 274: trace = 2.429169104533092 (7.68973e-06% change) linmin: converged after 9 iterations. iteration 275: trace = 2.429169019206554 (3.51258e-06% change) large trace change predicted (7.07632e-06%) linmin: converged after 3 iterations. iteration 276: trace = 2.429168847307157 (7.07647e-06% change) linmin: converged after 4 iterations. iteration 277: trace = 2.429168747622026 (4.10367e-06% change) linmin: converged after 3 iterations. iteration 278: trace = 2.429168631884506 (4.76449e-06% change) linmin: converged after 9 iterations. iteration 279: trace = 2.429168532093602 (4.10803e-06% change) resetting CG direction... linmin: converged after 12 iterations. iteration 280: trace = 2.4291684964183 (1.46862e-06% change) linmin: converged after 3 iterations. iteration 281: trace = 2.429168440493254 (2.30223e-06% change) large trace change predicted (4.78184e-06%) linmin: converged after 12 iterations. iteration 282: trace = 2.429168324337096 (4.78173e-06% change) linmin: converged after 3 iterations. iteration 283: trace = 2.429168281452561 (1.7654e-06% change) large trace change predicted (4.77569e-06%) linmin: converged after 3 iterations. iteration 284: trace = 2.429168165440978 (4.77577e-06% change) linmin: converged after 4 iterations. iteration 285: trace = 2.429168012705448 (6.28757e-06% change) linmin: converged after 3 iterations. iteration 286: trace = 2.42916796048866 (2.14958e-06% change) large trace change predicted (8.34541e-06%) linmin: converged after 8 iterations. iteration 287: trace = 2.429167757816693 (8.34327e-06% change) linmin: converged after 3 iterations. iteration 288: trace = 2.429167658486002 (4.08908e-06% change) linmin: converged after 3 iterations. iteration 289: trace = 2.429167571186357 (3.59381e-06% change) large trace change predicted (7.19173e-06%) linmin: converged after 3 iterations. iteration 290: trace = 2.429167396516001 (7.19054e-06% change) linmin: converged after 21 iterations. iteration 291: trace = 2.429167288799497 (4.4343e-06% change) large trace change predicted (9.41372e-06%) linmin: converged after 3 iterations. iteration 292: trace = 2.42916706019453 (9.41084e-06% change) linmin: converged after 5 iterations. iteration 293: trace = 2.429166790637383 (1.10967e-05% change) linmin: converged after 2 iterations. iteration 294: trace = 2.429166700646225 (3.70461e-06% change) large trace change predicted (9.97237e-06%) linmin: converged after 5 iterations. iteration 295: trace = 2.429166458463594 (9.96978e-06% change) linmin: converged after 5 iterations. iteration 296: trace = 2.429166273287356 (7.62304e-06% change) linmin: converged after 3 iterations. iteration 297: trace = 2.429166214243364 (2.43063e-06% change) large trace change predicted (5.55686e-06%) linmin: converged after 3 iterations. iteration 298: trace = 2.429166079247588 (5.55729e-06% change) linmin: converged after 5 iterations. iteration 299: trace = 2.42916595125798 (5.26887e-06% change) linmin: converged after 5 iterations. iteration 300: trace = 2.42916592282076 (1.17066e-06% change) large trace change predicted (4.49744e-06%) linmin: converged after 3 iterations. iteration 301: trace = 2.429165813577227 (4.49716e-06% change) linmin: converged after 3 iterations. iteration 302: trace = 2.429165796577458 (6.99819e-07% change) large trace change predicted (2.49075e-06%) linmin: converged after 28 iterations. iteration 303: trace = 2.429165736079905 (2.49047e-06% change) linmin: converged after 10 iterations. iteration 304: trace = 2.429165697146961 (1.60273e-06% change) linmin: converged after 6 iterations. iteration 305: trace = 2.429165679806006 (7.13865e-07% change) large trace change predicted (3.42752e-06%) linmin: converged after 4 iterations. iteration 306: trace = 2.429165596541317 (3.42771e-06% change) linmin: converged after 3 iterations. iteration 307: trace = 2.42916551057928 (3.53875e-06% change) linmin: converged after 13 iterations. iteration 308: trace = 2.429165452112139 (2.40688e-06% change) linmin: converged after 5 iterations. iteration 309: trace = 2.429165391596641 (2.49121e-06% change) large trace change predicted (5.07692e-06%) linmin: converged after 6 iterations. iteration 310: trace = 2.429165268222554 (5.07887e-06% change) linmin: converged after 3 iterations. iteration 311: trace = 2.429165206363174 (2.54653e-06% change) large trace change predicted (5.43046e-06%) linmin: converged after 3 iterations. iteration 312: trace = 2.429165074413008 (5.43191e-06% change) linmin: converged after 4 iterations. iteration 313: trace = 2.429164892245254 (7.49919e-06% change) linmin: converged after 5 iterations. iteration 314: trace = 2.429164849258548 (1.76961e-06% change) large trace change predicted (6.15247e-06%) linmin: converged after 5 iterations. iteration 315: trace = 2.429164699752117 (6.15464e-06% change) linmin: converged after 7 iterations. iteration 316: trace = 2.429164638771448 (2.51036e-06% change) linmin: converged after 4 iterations. iteration 317: trace = 2.429164550226917 (3.64506e-06% change) linmin: converged after 6 iterations. iteration 318: trace = 2.429164479965706 (2.8924e-06% change) linmin: converged after 7 iterations. iteration 319: trace = 2.429164428042301 (2.1375e-06% change) linmin: converged after 6 iterations. iteration 320: trace = 2.42916433563347 (3.80414e-06% change) linmin: converged after 6 iterations. iteration 321: trace = 2.429164273072414 (2.57541e-06% change) linmin: converged after 5 iterations. iteration 322: trace = 2.429164251889688 (8.72017e-07% change) large trace change predicted (2.15234e-06%) linmin: converged after 31 iterations. iteration 323: trace = 2.429164199604794 (2.15238e-06% change) linmin: converged after 4 iterations. iteration 324: trace = 2.429164141863048 (2.37702e-06% change) linmin: converged after 3 iterations. iteration 325: trace = 2.429164127630346 (5.85909e-07% change) linmin: converged after 3 iterations. iteration 326: trace = 2.429164104061229 (9.70256e-07% change) large trace change predicted (2.21783e-06%) linmin: converged after 11 iterations. iteration 327: trace = 2.429164050187693 (2.21778e-06% change) linmin: converged after 5 iterations. iteration 328: trace = 2.429164034353503 (6.51837e-07% change) large trace change predicted (3.00202e-06%) linmin: converged after 15 iterations. iteration 329: trace = 2.429163961434901 (3.0018e-06% change) linmin: converged after 3 iterations. iteration 330: trace = 2.429163889770653 (2.95016e-06% change) linmin: converged after 12 iterations. iteration 331: trace = 2.42916383487541 (2.25984e-06% change) large trace change predicted (5.68134e-06%) linmin: converged after 3 iterations. iteration 332: trace = 2.429163696882009 (5.6807e-06% change) linmin: converged after 4 iterations. iteration 333: trace = 2.429163570432511 (5.20547e-06% change) linmin: converged after 3 iterations. iteration 334: trace = 2.429163481349127 (3.66725e-06% change) linmin: converged after 3 iterations. iteration 335: trace = 2.429163344316766 (5.64113e-06% change) linmin: converged after 4 iterations. iteration 336: trace = 2.429163265834819 (3.23082e-06% change) linmin: converged after 3 iterations. iteration 337: trace = 2.42916317946051 (3.55572e-06% change) linmin: converged after 3 iterations. iteration 338: trace = 2.429163085013065 (3.88807e-06% change) linmin: converged after 39 iterations. iteration 339: trace = 2.429163066798336 (7.49836e-07% change) large trace change predicted (2.4415e-06%) linmin: converged after 15 iterations. iteration 340: trace = 2.429163007491066 (2.44147e-06% change) linmin: converged after 12 iterations. iteration 341: trace = 2.429162963036354 (1.83004e-06% change) linmin: converged after 18 iterations. iteration 342: trace = 2.429162948635061 (5.9285e-07% change) large trace change predicted (3.10214e-06%) linmin: converged after 3 iterations. iteration 343: trace = 2.4291628732808 (3.10207e-06% change) linmin: converged after 3 iterations. iteration 344: trace = 2.429162825499415 (1.96699e-06% change) linmin: converged after 3 iterations. iteration 345: trace = 2.429162809116475 (6.74427e-07% change) large trace change predicted (2.00799e-06%) linmin: converged after 2 iterations. iteration 346: trace = 2.429162760339046 (2.00799e-06% change) linmin: converged after 4 iterations. iteration 347: trace = 2.429162724432277 (1.47815e-06% change) linmin: converged after 4 iterations. iteration 348: trace = 2.429162698551296 (1.06543e-06% change) large trace change predicted (2.23223e-06%) linmin: converged after 5 iterations. iteration 349: trace = 2.4291626443277 (2.23219e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.429162606880206 (1.54158e-06% change) linmin: converged after 3 iterations. iteration 351: trace = 2.429162592627571 (5.8673e-07% change) large trace change predicted (1.69493e-06%) linmin: converged after 2 iterations. iteration 352: trace = 2.429162551455 (1.69493e-06% change) linmin: converged after 12 iterations. iteration 353: trace = 2.42916252138295 (1.23796e-06% change) linmin: converged after 3 iterations. iteration 354: trace = 2.429162501479733 (8.19345e-07% change) large trace change predicted (1.82735e-06%) linmin: converged after 6 iterations. iteration 355: trace = 2.429162457090289 (1.82736e-06% change) linmin: converged after 6 iterations. iteration 356: trace = 2.429162440909697 (6.66098e-07% change) large trace change predicted (2.34219e-06%) linmin: converged after 2 iterations. iteration 357: trace = 2.429162384014163 (2.34219e-06% change) linmin: converged after 5 iterations. iteration 358: trace = 2.429162349681781 (1.41334e-06% change) linmin: converged after 4 iterations. iteration 359: trace = 2.429162330473176 (7.9075e-07% change) linmin: converged after 8 iterations. iteration 360: trace = 2.429162296920965 (1.38123e-06% change) linmin: converged after 2 iterations. iteration 361: trace = 2.429162235219772 (2.54002e-06% change) linmin: converged after 3 iterations. iteration 362: trace = 2.429162220071998 (6.2358e-07% change) large trace change predicted (2.67787e-06%) linmin: converged after 5 iterations. iteration 363: trace = 2.429162155020347 (2.67795e-06% change) linmin: converged after 2 iterations. iteration 364: trace = 2.429162083523964 (2.94325e-06% change) linmin: converged after 7 iterations. iteration 365: trace = 2.429162046332947 (1.53102e-06% change) large trace change predicted (3.42156e-06%) linmin: converged after 2 iterations. iteration 366: trace = 2.429161963216603 (3.42161e-06% change) linmin: converged after 3 iterations. iteration 367: trace = 2.429161898126555 (2.67953e-06% change) linmin: converged after 7 iterations. iteration 368: trace = 2.429161872295726 (1.06336e-06% change) large trace change predicted (2.28311e-06%) linmin: converged after 4 iterations. iteration 369: trace = 2.429161816835373 (2.28311e-06% change) linmin: converged after 17 iterations. iteration 370: trace = 2.42916179829711 (7.63155e-07% change) linmin: converged after 3 iterations. iteration 371: trace = 2.429161774001537 (1.00016e-06% change) linmin: converged after 4 iterations. iteration 372: trace = 2.429161756942047 (7.02279e-07% change) linmin: converged after 3 iterations. iteration 373: trace = 2.429161747951866 (3.70094e-07% change) linmin: converged after 3 iterations. iteration 374: trace = 2.429161736740186 (4.61545e-07% change) large trace change predicted (9.93069e-07%) linmin: converged after 4 iterations. iteration 375: trace = 2.429161712617764 (9.93035e-07% change) linmin: converged after 3 iterations. iteration 376: trace = 2.429161706277334 (2.61013e-07% change) large trace change predicted (9.6954e-07%) linmin: converged after 3 iterations. iteration 377: trace = 2.429161682726784 (9.69493e-07% change) linmin: converged after 15 iterations. iteration 378: trace = 2.42916165696918 (1.06035e-06% change) linmin: converged after 4 iterations. iteration 379: trace = 2.429161631436572 (1.05109e-06% change) linmin: converged after 5 iterations. iteration 380: trace = 2.429161615532259 (6.54724e-07% change) large trace change predicted (1.42807e-06%) linmin: converged after 6 iterations. iteration 381: trace = 2.429161580845463 (1.42793e-06% change) linmin: converged after 25 iterations. iteration 382: trace = 2.429161547566768 (1.36997e-06% change) linmin: converged after 3 iterations. iteration 383: trace = 2.429161526503495 (8.67101e-07% change) large trace change predicted (1.92608e-06%) linmin: converged after 9 iterations. iteration 384: trace = 2.429161479721524 (1.92585e-06% change) linmin: converged after 6 iterations. iteration 385: trace = 2.429161467676568 (4.95848e-07% change) large trace change predicted (2.38017e-06%) linmin: converged after 9 iterations. iteration 386: trace = 2.429161409865471 (2.37988e-06% change) linmin: converged after 5 iterations. iteration 387: trace = 2.429161370736981 (1.61078e-06% change) linmin: converged after 4 iterations. iteration 388: trace = 2.429161353649504 (7.03431e-07% change) large trace change predicted (1.69145e-06%) linmin: converged after 5 iterations. iteration 389: trace = 2.429161312564659 (1.69132e-06% change) linmin: converged after 5 iterations. iteration 390: trace = 2.429161289374483 (9.54658e-07% change) linmin: converged after 10 iterations. iteration 391: trace = 2.429161275905912 (5.54454e-07% change) linmin: converged after 2 iterations. iteration 392: trace = 2.429161254799956 (8.68858e-07% change) linmin: converged after 4 iterations. iteration 393: trace = 2.429161245438828 (3.85365e-07% change) linmin: converged after 3 iterations. iteration 394: trace = 2.429161229402593 (6.60155e-07% change) linmin: converged after 23 iterations. iteration 395: trace = 2.429161219232758 (4.18656e-07% change) linmin: converged after 3 iterations. iteration 396: trace = 2.429161208096996 (4.5842e-07% change) linmin: converged after 21 iterations. iteration 397: trace = 2.429161201432734 (2.74344e-07% change) large trace change predicted (9.31855e-07%) linmin: converged after 4 iterations. iteration 398: trace = 2.429161178796045 (9.31873e-07% change) linmin: converged after 18 iterations. iteration 399: trace = 2.429161174266039 (1.86484e-07% change) large trace change predicted (1.12087e-06%) linmin: converged after 29 iterations. iteration 400: trace = 2.42916114703788 (1.12089e-06% change) linmin: converged after 7 iterations. iteration 401: trace = 2.429161116753245 (1.24671e-06% change) linmin: converged after 28 iterations. iteration 402: trace = 2.429161103903051 (5.28997e-07% change) large trace change predicted (1.36412e-06%) linmin: converged after 3 iterations. iteration 403: trace = 2.429161070766495 (1.36412e-06% change) linmin: converged after 6 iterations. iteration 404: trace = 2.429161031675101 (1.60925e-06% change) linmin: converged after 5 iterations. iteration 405: trace = 2.429161018395096 (5.46691e-07% change) large trace change predicted (2.19263e-06%) linmin: converged after 4 iterations. iteration 406: trace = 2.429160965117012 (2.19327e-06% change) linmin: converged after 10 iterations. iteration 407: trace = 2.42916094607832 (7.83756e-07% change) linmin: converged after 14 iterations. iteration 408: trace = 2.429160915406335 (1.26266e-06% change) linmin: converged after 6 iterations. iteration 409: trace = 2.429160890787283 (1.01348e-06% change) linmin: converged after 10 iterations. iteration 410: trace = 2.429160865912935 (1.02399e-06% change) linmin: converged after 4 iterations. iteration 411: trace = 2.429160859681612 (2.56522e-07% change) large trace change predicted (1.04374e-06%) linmin: converged after 3 iterations. iteration 412: trace = 2.429160834324978 (1.04384e-06% change) linmin: converged after 13 iterations. iteration 413: trace = 2.429160822552582 (4.84628e-07% change) linmin: converged after 3 iterations. iteration 414: trace = 2.429160810479629 (4.97001e-07% change) linmin: converged after 2 iterations. iteration 415: trace = 2.429160794270682 (6.67265e-07% change) linmin: converged after 3 iterations. iteration 416: trace = 2.429160786868144 (3.04736e-07% change) linmin: converged after 9 iterations. iteration 417: trace = 2.429160778191858 (3.57172e-07% change) linmin: converged after 3 iterations. iteration 418: trace = 2.429160770947577 (2.98222e-07% change) large trace change predicted (7.45595e-07%) linmin: converged after 4 iterations. iteration 419: trace = 2.429160752836823 (7.45556e-07% change) resetting CG direction... linmin: converged after 12 iterations. iteration 420: trace = 2.429160739586965 (5.4545e-07% change) linmin: converged after 6 iterations. iteration 421: trace = 2.429160730537375 (3.7254e-07% change) linmin: converged after 2 iterations. iteration 422: trace = 2.429160724763051 (2.37709e-07% change) linmin: converged after 7 iterations. iteration 423: trace = 2.429160719570453 (2.13761e-07% change) large trace change predicted (7.00133e-07%) linmin: converged after 21 iterations. iteration 424: trace = 2.429160702563295 (7.00125e-07% change) linmin: converged after 4 iterations. iteration 425: trace = 2.429160697115749 (2.24256e-07% change) large trace change predicted (5.1037e-07%) linmin: converged after 6 iterations. iteration 426: trace = 2.42916068471825 (5.10361e-07% change) linmin: converged after 6 iterations. iteration 427: trace = 2.429160666635492 (7.44404e-07% change) linmin: converged after 4 iterations. iteration 428: trace = 2.429160659172078 (3.07243e-07% change) linmin: converged after 7 iterations. iteration 429: trace = 2.429160644444301 (6.06291e-07% change) linmin: converged after 4 iterations. iteration 430: trace = 2.429160624952865 (8.02394e-07% change) linmin: converged after 9 iterations. iteration 431: trace = 2.429160619104701 (2.40748e-07% change) large trace change predicted (9.7676e-07%) linmin: converged after 11 iterations. iteration 432: trace = 2.429160595379874 (9.76668e-07% change) linmin: converged after 3 iterations. iteration 433: trace = 2.4291605797672 (6.42719e-07% change) linmin: converged after 6 iterations. iteration 434: trace = 2.429160557386624 (9.2133e-07% change) linmin: converged after 10 iterations. iteration 435: trace = 2.429160537761554 (8.07895e-07% change) linmin: converged after 10 iterations. iteration 436: trace = 2.429160526861633 (4.48711e-07% change) linmin: converged after 17 iterations. iteration 437: trace = 2.429160510496093 (6.73712e-07% change) linmin: converged after 3 iterations. iteration 438: trace = 2.429160494711398 (6.498e-07% change) linmin: converged after 5 iterations. iteration 439: trace = 2.429160486694368 (3.30033e-07% change) linmin: converged after 15 iterations. iteration 440: trace = 2.42916047882103 (3.24118e-07% change) linmin: converged after 13 iterations. iteration 441: trace = 2.429160470234992 (3.53457e-07% change) linmin: converged after 3 iterations. iteration 442: trace = 2.429160467856385 (9.79189e-08% change) linmin: converged after 19 iterations. iteration 443: trace = 2.429160463831151 (1.65705e-07% change) linmin: converged after 7 iterations. iteration 444: trace = 2.429160457686066 (2.52972e-07% change) linmin: converged after 4 iterations. iteration 445: trace = 2.429160455712316 (8.12523e-08% change) large trace change predicted (4.03865e-07%) linmin: converged after 6 iterations. iteration 446: trace = 2.429160445901539 (4.03875e-07% change) linmin: converged after 9 iterations. iteration 447: trace = 2.429160436720489 (3.77952e-07% change) linmin: converged after 2 iterations. iteration 448: trace = 2.429160433539449 (1.30952e-07% change) large trace change predicted (4.12445e-07%) linmin: converged after 11 iterations. iteration 449: trace = 2.429160423520147 (4.12459e-07% change) linmin: converged after 3 iterations. iteration 450: trace = 2.429160409222536 (5.88582e-07% change) linmin: converged after 4 iterations. iteration 451: trace = 2.429160403858268 (2.20828e-07% change) large trace change predicted (5.3769e-07%) linmin: converged after 5 iterations. iteration 452: trace = 2.429160390796208 (5.37719e-07% change) linmin: converged after 6 iterations. iteration 453: trace = 2.429160369243609 (8.87245e-07% change) linmin: converged after 5 iterations. iteration 454: trace = 2.429160365273726 (1.63426e-07% change) large trace change predicted (6.34754e-07%) linmin: converged after 9 iterations. iteration 455: trace = 2.429160349852637 (6.34832e-07% change) linmin: converged after 2 iterations. iteration 456: trace = 2.429160340465358 (3.86441e-07% change) linmin: converged after 17 iterations. iteration 457: trace = 2.429160335681417 (1.96938e-07% change) linmin: converged after 4 iterations. iteration 458: trace = 2.429160328469846 (2.96875e-07% change) linmin: converged after 8 iterations. iteration 459: trace = 2.42916032225174 (2.55978e-07% change) linmin: converged after 19 iterations. iteration 460: trace = 2.42916031538806 (2.82554e-07% change) linmin: converged after 5 iterations. iteration 461: trace = 2.429160307051307 (3.43195e-07% change) linmin: converged after 8 iterations. iteration 462: trace = 2.429160304951536 (8.64402e-08% change) large trace change predicted (2.06878e-07%) linmin: converged after 3 iterations. iteration 463: trace = 2.429160299926093 (2.0688e-07% change) linmin: converged after 6 iterations. iteration 464: trace = 2.429160295228535 (1.93382e-07% change) linmin: converged after 9 iterations. iteration 465: trace = 2.429160292940201 (9.42027e-08% change) linmin: converged after 4 iterations. iteration 466: trace = 2.429160289924876 (1.2413e-07% change) linmin: converged after 9 iterations. iteration 467: trace = 2.429160284427077 (2.26325e-07% change) linmin: converged after 2 iterations. iteration 468: trace = 2.429160283390882 (4.26565e-08% change) large trace change predicted (3.37778e-07%) linmin: converged after 10 iterations. iteration 469: trace = 2.429160275185771 (3.37776e-07% change) linmin: converged after 6 iterations. iteration 470: trace = 2.429160272626115 (1.05372e-07% change) large trace change predicted (4.14223e-07%) linmin: converged after 3 iterations. iteration 471: trace = 2.429160262564194 (4.14214e-07% change) linmin: converged after 3 iterations. iteration 472: trace = 2.429160251210739 (4.67382e-07% change) linmin: converged after 6 iterations. iteration 473: trace = 2.42916023576294 (6.35932e-07% change) linmin: converged after 3 iterations. iteration 474: trace = 2.429160231032962 (1.94717e-07% change) large trace change predicted (6.67413e-07%) linmin: converged after 20 iterations. iteration 475: trace = 2.429160214821227 (6.6738e-07% change) linmin: converged after 4 iterations. iteration 476: trace = 2.429160203867546 (4.50925e-07% change) linmin: converged after 4 iterations. iteration 477: trace = 2.429160199322132 (1.87119e-07% change) large trace change predicted (3.81325e-07%) linmin: converged after 27 iterations. iteration 478: trace = 2.429160190059395 (3.81314e-07% change) linmin: converged after 4 iterations. iteration 479: trace = 2.429160184963958 (2.09761e-07% change) linmin: converged after 4 iterations. iteration 480: trace = 2.429160182536235 (9.99409e-08% change) linmin: converged after 5 iterations. iteration 481: trace = 2.429160178153689 (1.80414e-07% change) linmin: converged after 3 iterations. iteration 482: trace = 2.429160173265569 (2.01227e-07% change) linmin: converged after 6 iterations. iteration 483: trace = 2.429160168444519 (1.98466e-07% change) linmin: converged after 31 iterations. iteration 484: trace = 2.429160162554148 (2.42486e-07% change) linmin: converged after 15 iterations. iteration 485: trace = 2.42916016098529 (6.45844e-08% change) large trace change predicted (1.51359e-07%) linmin: converged after 3 iterations. iteration 486: trace = 2.429160157308518 (1.5136e-07% change) linmin: converged after 21 iterations. iteration 487: trace = 2.429160152064144 (2.15892e-07% change) linmin: converged after 13 iterations. iteration 488: trace = 2.429160150600116 (6.02689e-08% change) large trace change predicted (1.65788e-07%) linmin: converged after 3 iterations. iteration 489: trace = 2.429160146572889 (1.65787e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.429160143109999 (1.42555e-07% change) linmin: converged after 13 iterations. iteration 491: trace = 2.429160141774804 (5.49653e-08% change) large trace change predicted (1.87946e-07%) linmin: converged after 16 iterations. iteration 492: trace = 2.429160137209224 (1.87949e-07% change) linmin: converged after 3 iterations. iteration 493: trace = 2.429160134545369 (1.09662e-07% change) linmin: converged after 5 iterations. iteration 494: trace = 2.429160132729607 (7.47485e-08% change) large trace change predicted (2.19501e-07%) linmin: converged after 8 iterations. iteration 495: trace = 2.429160127397544 (2.19502e-07% change) linmin: converged after 16 iterations. iteration 496: trace = 2.429160125965343 (5.89587e-08% change) large trace change predicted (2.6351e-07%) linmin: converged after 3 iterations. iteration 497: trace = 2.429160119564294 (2.63509e-07% change) linmin: converged after 8 iterations. iteration 498: trace = 2.429160116734033 (1.16512e-07% change) linmin: converged after 3 iterations. iteration 499: trace = 2.429160115191659 (6.34941e-08% change) large trace change predicted (1.9236e-07%) linmin: converged after 3 iterations. iteration 500: trace = 2.429160110518885 (1.92362e-07% change) linmin: converged after 12 iterations. iteration 501: trace = 2.429160105528207 (2.05449e-07% change) linmin: converged after 15 iterations. iteration 502: trace = 2.429160102894765 (1.0841e-07% change) large trace change predicted (3.11111e-07%) linmin: converged after 23 iterations. iteration 503: trace = 2.429160095337199 (3.11118e-07% change) linmin: converged after 6 iterations. iteration 504: trace = 2.429160092159261 (1.30825e-07% change) large trace change predicted (3.09998e-07%) linmin: converged after 5 iterations. iteration 505: trace = 2.42916008462877 (3.10004e-07% change) linmin: converged after 7 iterations. iteration 506: trace = 2.42916007621103 (3.46529e-07% change) linmin: converged after 3 iterations. iteration 507: trace = 2.429160071827713 (1.80446e-07% change) linmin: converged after 7 iterations. iteration 508: trace = 2.429160067386099 (1.82846e-07% change) linmin: converged after 4 iterations. iteration 509: trace = 2.42916006115866 (2.56362e-07% change) linmin: converged after 4 iterations. iteration 510: trace = 2.429160059047279 (8.69181e-08% change) linmin: converged after 4 iterations. iteration 511: trace = 2.429160056746093 (9.47318e-08% change) linmin: converged after 4 iterations. iteration 512: trace = 2.429160054673741 (8.53115e-08% change) linmin: converged after 4 iterations. iteration 513: trace = 2.429160053823607 (3.4997e-08% change) linmin: converged after 4 iterations. iteration 514: trace = 2.429160052906892 (3.77379e-08% change) large trace change predicted (1.10361e-07%) linmin: converged after 7 iterations. iteration 515: trace = 2.429160050226149 (1.10357e-07% change) linmin: converged after 8 iterations. iteration 516: trace = 2.429160049619317 (2.49812e-08% change) large trace change predicted (1.03891e-07%) linmin: converged after 4 iterations. iteration 517: trace = 2.429160047095664 (1.0389e-07% change) linmin: converged after 8 iterations. iteration 518: trace = 2.42916004369386 (1.4004e-07% change) linmin: converged after 6 iterations. iteration 519: trace = 2.429160042766972 (3.81567e-08% change) large trace change predicted (1.87188e-07%) linmin: converged after 4 iterations. iteration 520: trace = 2.429160038220054 (1.87181e-07% change) linmin: converged after 6 iterations. iteration 521: trace = 2.429160035383047 (1.1679e-07% change) linmin: converged after 7 iterations. iteration 522: trace = 2.429160031368913 (1.65248e-07% change) linmin: converged after 14 iterations. iteration 523: trace = 2.429160029550924 (7.48402e-08% change) large trace change predicted (1.99251e-07%) linmin: converged after 7 iterations. iteration 524: trace = 2.429160024711098 (1.99239e-07% change) linmin: converged after 9 iterations. iteration 525: trace = 2.429160023518538 (4.90935e-08% change) large trace change predicted (2.43829e-07%) linmin: converged after 4 iterations. iteration 526: trace = 2.429160017595835 (2.43817e-07% change) linmin: converged after 8 iterations. iteration 527: trace = 2.429160012997484 (1.89298e-07% change) linmin: converged after 4 iterations. iteration 528: trace = 2.429160010747484 (9.26246e-08% change) linmin: converged after 7 iterations. iteration 529: trace = 2.429160007290114 (1.42328e-07% change) linmin: converged after 6 iterations. iteration 530: trace = 2.429160004353959 (1.20871e-07% change) linmin: converged after 13 iterations. iteration 531: trace = 2.4291600034548 (3.70152e-08% change) large trace change predicted (9.26542e-08%) linmin: converged after 6 iterations. iteration 532: trace = 2.429160001204094 (9.26537e-08% change) linmin: converged after 4 iterations. iteration 533: trace = 2.429159999953416 (5.1486e-08% change) linmin: converged after 30 iterations. iteration 534: trace = 2.429159998640363 (5.40538e-08% change) linmin: converged after 2 iterations. iteration 535: trace = 2.429159997603382 (4.26888e-08% change) linmin: converged after 4 iterations. iteration 536: trace = 2.429159996198432 (5.78369e-08% change) linmin: converged after 3 iterations. iteration 537: trace = 2.429159995773238 (1.75037e-08% change) large trace change predicted (1.01276e-07%) linmin: converged after 12 iterations. iteration 538: trace = 2.429159993313064 (1.01277e-07% change) linmin: converged after 7 iterations. iteration 539: trace = 2.42915999214017 (4.82839e-08% change) large trace change predicted (9.70116e-08%) linmin: converged after 4 iterations. iteration 540: trace = 2.429159989783568 (9.7013e-08% change) linmin: converged after 4 iterations. iteration 541: trace = 2.429159986517198 (1.34465e-07% change) linmin: converged after 2 iterations. iteration 542: trace = 2.429159985396192 (4.61479e-08% change) large trace change predicted (1.71976e-07%) linmin: converged after 4 iterations. iteration 543: trace = 2.429159981218528 (1.7198e-07% change) linmin: converged after 17 iterations. iteration 544: trace = 2.429159977633575 (1.4758e-07% change) linmin: converged after 4 iterations. iteration 545: trace = 2.429159976264367 (5.63655e-08% change) large trace change predicted (2.14959e-07%) linmin: converged after 10 iterations. iteration 546: trace = 2.429159971042408 (2.1497e-07% change) linmin: converged after 7 iterations. iteration 547: trace = 2.429159967060587 (1.63918e-07% change) linmin: converged after 9 iterations. iteration 548: trace = 2.42915996621577 (3.47781e-08% change) large trace change predicted (1.35427e-07%) linmin: converged after 6 iterations. iteration 549: trace = 2.429159962925931 (1.35431e-07% change) linmin: converged after 32 iterations. iteration 550: trace = 2.429159961511705 (5.82187e-08% change) linmin: converged after 9 iterations. iteration 551: trace = 2.429159960614168 (3.69484e-08% change) large trace change predicted (1.1284e-07%) linmin: converged after 10 iterations. iteration 552: trace = 2.429159957873047 (1.12842e-07% change) linmin: converged after 4 iterations. iteration 553: trace = 2.429159956828478 (4.30013e-08% change) linmin: converged after 4 iterations. iteration 554: trace = 2.429159955707717 (4.61378e-08% change) linmin: converged after 4 iterations. iteration 555: trace = 2.429159953635327 (8.5313e-08% change) linmin: converged after 4 iterations. iteration 556: trace = 2.429159952567418 (4.39621e-08% change) linmin: converged after 4 iterations. iteration 557: trace = 2.42915995209386 (1.94947e-08% change) linmin: converged after 3 iterations. iteration 558: trace = 2.429159951198521 (3.6858e-08% change) large trace change predicted (1.36283e-07%) linmin: converged after 8 iterations. iteration 559: trace = 2.429159947887974 (1.36284e-07% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.429159945619617 (9.33803e-08% change) linmin: converged after 4 iterations. iteration 561: trace = 2.429159944225417 (5.73943e-08% change) linmin: converged after 6 iterations. iteration 562: trace = 2.429159943810292 (1.70893e-08% change) linmin: converged after 4 iterations. iteration 563: trace = 2.429159943266191 (2.23987e-08% change) large trace change predicted (8.02862e-08%) linmin: converged after 5 iterations. iteration 564: trace = 2.429159941315925 (8.02856e-08% change) linmin: converged after 4 iterations. iteration 565: trace = 2.429159940820047 (2.04136e-08% change) large trace change predicted (6.08647e-08%) linmin: converged after 4 iterations. iteration 566: trace = 2.429159939341557 (6.08643e-08% change) linmin: converged after 14 iterations. iteration 567: trace = 2.429159937987567 (5.5739e-08% change) linmin: converged after 4 iterations. iteration 568: trace = 2.429159937489906 (2.0487e-08% change) large trace change predicted (7.53502e-08%) linmin: converged after 10 iterations. iteration 569: trace = 2.429159935659628 (7.53461e-08% change) linmin: converged after 5 iterations. iteration 570: trace = 2.42915993421171 (5.96057e-08% change) linmin: converged after 3 iterations. iteration 571: trace = 2.429159933553923 (2.70788e-08% change) large trace change predicted (1.16014e-07%) linmin: converged after 15 iterations. iteration 572: trace = 2.429159930735858 (1.1601e-07% change) linmin: converged after 11 iterations. iteration 573: trace = 2.42915992974513 (4.07848e-08% change) large trace change predicted (1.21538e-07%) linmin: converged after 26 iterations. iteration 574: trace = 2.429159926792872 (1.21534e-07% change) linmin: converged after 14 iterations. iteration 575: trace = 2.429159924762228 (8.35945e-08% change) linmin: converged after 11 iterations. iteration 576: trace = 2.429159922770588 (8.19889e-08% change) linmin: converged after 7 iterations. iteration 577: trace = 2.42915992195133 (3.3726e-08% change) large trace change predicted (7.86519e-08%) linmin: converged after 4 iterations. iteration 578: trace = 2.429159920040788 (7.86503e-08% change) linmin: converged after 6 iterations. iteration 579: trace = 2.429159919300949 (3.04566e-08% change) linmin: converged after 4 iterations. iteration 580: trace = 2.429159918469713 (3.4219e-08% change) linmin: converged after 19 iterations. iteration 581: trace = 2.429159917560508 (3.74288e-08% change) linmin: converged after 6 iterations. iteration 582: trace = 2.429159917268661 (1.20143e-08% change) linmin: converged after 3 iterations. iteration 583: trace = 2.429159916816157 (1.8628e-08% change) linmin: converged after 6 iterations. iteration 584: trace = 2.429159916258878 (2.29412e-08% change) linmin: converged after 5 iterations. iteration 585: trace = 2.42915991547506 (3.2267e-08% change) linmin: converged after 14 iterations. iteration 586: trace = 2.429159915268955 (8.48465e-09% change) large trace change predicted (4.5446e-08%) linmin: converged after 24 iterations. iteration 587: trace = 2.429159914164989 (4.54464e-08% change) linmin: converged after 5 iterations. iteration 588: trace = 2.429159913628775 (2.20741e-08% change) linmin: converged after 5 iterations. iteration 589: trace = 2.429159913056678 (2.35512e-08% change) large trace change predicted (5.75605e-08%) linmin: converged after 4 iterations. iteration 590: trace = 2.429159911658389 (5.75626e-08% change) linmin: converged after 4 iterations. iteration 591: trace = 2.429159910347674 (5.39576e-08% change) linmin: converged after 6 iterations. iteration 592: trace = 2.429159909650985 (2.86802e-08% change) large trace change predicted (8.3773e-08%) linmin: converged after 17 iterations. iteration 593: trace = 2.429159907615959 (8.37749e-08% change) linmin: converged after 6 iterations. iteration 594: trace = 2.429159907006183 (2.51023e-08% change) large trace change predicted (7.01285e-08%) linmin: converged after 4 iterations. iteration 595: trace = 2.429159905302602 (7.01305e-08% change) linmin: converged after 16 iterations. iteration 596: trace = 2.429159904225642 (4.43347e-08% change) linmin: converged after 6 iterations. iteration 597: trace = 2.429159903421816 (3.30907e-08% change) linmin: converged after 4 iterations. iteration 598: trace = 2.429159902865782 (2.289e-08% change) large trace change predicted (4.80762e-08%) linmin: converged after 2 iterations. iteration 599: trace = 2.429159901697921 (4.80767e-08% change) linmin: converged after 4 iterations. iteration 600: trace = 2.429159901434025 (1.08637e-08% change) large trace change predicted (3.87386e-08%) linmin: converged after 4 iterations. iteration 601: trace = 2.429159900492991 (3.87391e-08% change) linmin: converged after 12 iterations. iteration 602: trace = 2.429159899823337 (2.75673e-08% change) linmin: converged after 13 iterations. iteration 603: trace = 2.429159899480456 (1.41152e-08% change) linmin: converged after 5 iterations. iteration 604: trace = 2.429159899170993 (1.27395e-08% change) linmin: converged after 4 iterations. iteration 605: trace = 2.429159898725686 (1.83317e-08% change) linmin: converged after 4 iterations. iteration 606: trace = 2.429159898475882 (1.02835e-08% change) linmin: converged after 3 iterations. iteration 607: trace = 2.429159898219494 (1.05546e-08% change) large trace change predicted (2.7167e-08%) linmin: converged after 4 iterations. iteration 608: trace = 2.429159897559575 (2.71666e-08% change) linmin: converged after 13 iterations. iteration 609: trace = 2.429159897437141 (5.04016e-09% change) large trace change predicted (4.4209e-08%) linmin: converged after 7 iterations. iteration 610: trace = 2.429159896363256 (4.42081e-08% change) linmin: converged after 8 iterations. iteration 611: trace = 2.429159895991292 (1.53125e-08% change) large trace change predicted (3.77759e-08%) linmin: converged after 15 iterations. iteration 612: trace = 2.429159895073667 (3.77754e-08% change) linmin: converged after 4 iterations. iteration 613: trace = 2.429159893485998 (6.53588e-08% change) linmin: converged after 15 iterations. iteration 614: trace = 2.429159891590764 (7.80202e-08% change) linmin: converged after 4 iterations. iteration 615: trace = 2.429159891078084 (2.11052e-08% change) large trace change predicted (4.72098e-08%) linmin: converged after 4 iterations. iteration 616: trace = 2.429159889931285 (4.72097e-08% change) linmin: converged after 4 iterations. iteration 617: trace = 2.429159889318 (2.52468e-08% change) linmin: converged after 30 iterations. iteration 618: trace = 2.429159888699695 (2.54534e-08% change) linmin: converged after 7 iterations. iteration 619: trace = 2.42915988808479 (2.53135e-08% change) linmin: converged after 3 iterations. iteration 620: trace = 2.429159887817831 (1.09898e-08% change) linmin: converged after 4 iterations. iteration 621: trace = 2.429159887443118 (1.54256e-08% change) large trace change predicted (3.52274e-08%) linmin: converged after 6 iterations. iteration 622: trace = 2.429159886587396 (3.52271e-08% change) linmin: converged after 4 iterations. iteration 623: trace = 2.429159886219932 (1.51272e-08% change) linmin: converged after 4 iterations. iteration 624: trace = 2.429159885948714 (1.11651e-08% change) linmin: converged after 5 iterations. iteration 625: trace = 2.429159885480614 (1.927e-08% change) linmin: converged after 3 iterations. iteration 626: trace = 2.429159885063529 (1.71699e-08% change) linmin: converged after 4 iterations. iteration 627: trace = 2.429159884801017 (1.08067e-08% change) linmin: converged after 24 iterations. iteration 628: trace = 2.429159884308785 (2.02635e-08% change) linmin: converged after 4 iterations. iteration 629: trace = 2.42915988409879 (8.64476e-09% change) resetting CG direction... linmin: converged after 29 iterations. iteration 630: trace = 2.429159883923386 (7.22077e-09% change) large trace change predicted (1.59748e-08%) linmin: converged after 10 iterations. iteration 631: trace = 2.429159883535328 (1.5975e-08% change) linmin: converged after 4 iterations. iteration 632: trace = 2.429159883309192 (9.30923e-09% change) linmin: converged after 14 iterations. iteration 633: trace = 2.429159882988082 (1.3219e-08% change) linmin: converged after 4 iterations. iteration 634: trace = 2.429159882496865 (2.02217e-08% change) linmin: converged after 2 iterations. iteration 635: trace = 2.429159882247063 (1.02835e-08% change) linmin: converged after 25 iterations. iteration 636: trace = 2.429159881992391 (1.0484e-08% change) large trace change predicted (2.88008e-08%) linmin: converged after 6 iterations. iteration 637: trace = 2.429159881292772 (2.88008e-08% change) linmin: converged after 10 iterations. iteration 638: trace = 2.429159880957295 (1.38104e-08% change) linmin: converged after 5 iterations. iteration 639: trace = 2.429159880728038 (9.43771e-09% change) linmin: converged after 11 iterations. iteration 640: trace = 2.429159880344708 (1.57804e-08% change) linmin: converged after 13 iterations. iteration 641: trace = 2.429159879948127 (1.63258e-08% change) linmin: converged after 7 iterations. iteration 642: trace = 2.429159879561123 (1.59316e-08% change) large trace change predicted (3.48015e-08%) linmin: converged after 4 iterations. iteration 643: trace = 2.429159878715728 (3.48019e-08% change) linmin: converged after 4 iterations. iteration 644: trace = 2.429159878436534 (1.14935e-08% change) large trace change predicted (3.45312e-08%) linmin: converged after 7 iterations. iteration 645: trace = 2.429159877597703 (3.45317e-08% change) linmin: converged after 6 iterations. iteration 646: trace = 2.429159876729011 (3.5761e-08% change) linmin: converged after 8 iterations. iteration 647: trace = 2.429159876464457 (1.08907e-08% change) large trace change predicted (2.41291e-08%) linmin: converged after 2 iterations. iteration 648: trace = 2.429159875878322 (2.41291e-08% change) linmin: converged after 4 iterations. iteration 649: trace = 2.429159875298402 (2.38733e-08% change) linmin: converged after 3 iterations. iteration 650: trace = 2.429159875204298 (3.87391e-09% change) large trace change predicted (1.46253e-08%) linmin: converged after 4 iterations. iteration 651: trace = 2.429159874849023 (1.46254e-08% change) linmin: converged after 11 iterations. iteration 652: trace = 2.429159874748661 (4.13155e-09% change) linmin: converged after 27 iterations. iteration 653: trace = 2.429159874562753 (7.65319e-09% change) linmin: converged after 4 iterations. iteration 654: trace = 2.429159874428725 (5.51746e-09% change) linmin: converged after 4 iterations. iteration 655: trace = 2.429159874216798 (8.72429e-09% change) linmin: converged after 2 iterations. iteration 656: trace = 2.429159874102526 (4.70418e-09% change) large trace change predicted (1.32912e-08%) linmin: converged after 9 iterations. iteration 657: trace = 2.429159873779663 (1.32911e-08% change) linmin: converged after 24 iterations. iteration 658: trace = 2.429159873549111 (9.49102e-09% change) linmin: converged after 6 iterations. iteration 659: trace = 2.429159873373596 (7.22536e-09% change) large trace change predicted (2.2156e-08%) linmin: converged after 19 iterations. iteration 660: trace = 2.429159872835396 (2.21558e-08% change) linmin: converged after 3 iterations. iteration 661: trace = 2.429159872705757 (5.33676e-09% change) large trace change predicted (1.60297e-08%) linmin: converged after 31 iterations. iteration 662: trace = 2.429159872316372 (1.60296e-08% change) linmin: converged after 10 iterations. iteration 663: trace = 2.429159871935425 (1.56823e-08% change) linmin: converged after 7 iterations. iteration 664: trace = 2.429159871486376 (1.84858e-08% change) linmin: converged after 6 iterations. iteration 665: trace = 2.429159871357078 (5.32276e-09% change) large trace change predicted (3.18053e-08%) linmin: converged after 5 iterations. iteration 666: trace = 2.429159870584503 (3.18042e-08% change) linmin: converged after 6 iterations. iteration 667: trace = 2.429159870173317 (1.69271e-08% change) linmin: converged after 4 iterations. iteration 668: trace = 2.429159869950629 (9.16731e-09% change) linmin: converged after 4 iterations. iteration 669: trace = 2.429159869614651 (1.3831e-08% change) linmin: converged after 8 iterations. iteration 670: trace = 2.429159869436647 (7.32781e-09% change) linmin: converged after 14 iterations. iteration 671: trace = 2.429159869217567 (9.01873e-09% change) linmin: converged after 15 iterations. iteration 672: trace = 2.429159869002919 (8.8363e-09% change) linmin: converged after 16 iterations. iteration 673: trace = 2.42915986891721 (3.52835e-09% change) large trace change predicted (7.80294e-09%) linmin: converged after 4 iterations. iteration 674: trace = 2.429159868727664 (7.80293e-09% change) linmin: converged after 24 iterations. iteration 675: trace = 2.429159868574475 (6.30627e-09% change) linmin: converged after 21 iterations. iteration 676: trace = 2.429159868526776 (1.96361e-09% change) linmin: converged after 9 iterations. iteration 677: trace = 2.429159868433023 (3.85948e-09% change) large trace change predicted (9.62991e-09%) linmin: converged after 18 iterations. iteration 678: trace = 2.429159868199096 (9.62996e-09% change) linmin: converged after 4 iterations. iteration 679: trace = 2.429159868151658 (1.95284e-09% change) large trace change predicted (1.36815e-08%) linmin: converged after 4 iterations. iteration 680: trace = 2.429159867819307 (1.36817e-08% change) linmin: converged after 6 iterations. iteration 681: trace = 2.429159867476866 (1.40971e-08% change) linmin: converged after 23 iterations. iteration 682: trace = 2.429159867353786 (5.06676e-09% change) large trace change predicted (1.91499e-08%) linmin: converged after 9 iterations. iteration 683: trace = 2.429159866888595 (1.91503e-08% change) linmin: converged after 7 iterations. iteration 684: trace = 2.429159866552485 (1.38365e-08% change) linmin: converged after 18 iterations. iteration 685: trace = 2.429159866404837 (6.07814e-09% change) large trace change predicted (1.86731e-08%) linmin: converged after 4 iterations. iteration 686: trace = 2.429159865951227 (1.86736e-08% change) linmin: converged after 23 iterations. iteration 687: trace = 2.429159865647892 (1.24872e-08% change) linmin: converged after 8 iterations. iteration 688: trace = 2.429159865493814 (6.34284e-09% change) large trace change predicted (1.51764e-08%) linmin: converged after 4 iterations. iteration 689: trace = 2.42915986512515 (1.51766e-08% change) linmin: converged after 31 iterations. iteration 690: trace = 2.429159864961798 (6.72467e-09% change) linmin: converged after 13 iterations. iteration 691: trace = 2.429159864877884 (3.45444e-09% change) large trace change predicted (1.31379e-08%) linmin: converged after 10 iterations. iteration 692: trace = 2.429159864558741 (1.3138e-08% change) linmin: converged after 8 iterations. iteration 693: trace = 2.429159864388079 (7.02554e-09% change) linmin: converged after 15 iterations. iteration 694: trace = 2.429159864329951 (2.39295e-09% change) large trace change predicted (7.26982e-09%) linmin: converged after 28 iterations. iteration 695: trace = 2.429159864153355 (7.26982e-09% change) linmin: converged after 14 iterations. iteration 696: trace = 2.429159864047011 (4.37782e-09% change) linmin: converged after 4 iterations. iteration 697: trace = 2.42915986398621 (2.50293e-09% change) linmin: converged after 7 iterations. iteration 698: trace = 2.429159863893809 (3.80383e-09% change) large trace change predicted (1.34954e-08%) linmin: converged after 20 iterations. iteration 699: trace = 2.429159863565991 (1.34951e-08% change) resetting CG direction... linmin: converged after 6 iterations. iteration 700: trace = 2.429159863368707 (8.12149e-09% change) linmin: converged after 12 iterations. iteration 701: trace = 2.429159863198481 (7.00765e-09% change) linmin: converged after 21 iterations. iteration 702: trace = 2.429159863161707 (1.51383e-09% change) large trace change predicted (3.28016e-09%) linmin: converged after 4 iterations. iteration 703: trace = 2.429159863082028 (3.2801e-09% change) large trace change predicted (6.83995e-09%) linmin: converged after 4 iterations. iteration 704: trace = 2.429159862915878 (6.83984e-09% change) linmin: converged after 18 iterations. iteration 705: trace = 2.429159862882806 (1.36145e-09% change) large trace change predicted (7.31193e-09%) linmin: converged after 20 iterations. iteration 706: trace = 2.429159862705189 (7.31187e-09% change) linmin: converged after 3 iterations. iteration 707: trace = 2.429159862567829 (5.65464e-09% change) linmin: converged after 33 iterations. iteration 708: trace = 2.42915986249851 (2.85359e-09% change) large trace change predicted (8.25612e-09%) linmin: converged after 6 iterations. iteration 709: trace = 2.429159862297957 (8.25608e-09% change) linmin: converged after 2 iterations. iteration 710: trace = 2.429159862167181 (5.38356e-09% change) linmin: converged after 28 iterations. iteration 711: trace = 2.429159862072796 (3.88552e-09% change) large trace change predicted (1.01987e-08%) linmin: converged after 4 iterations. iteration 712: trace = 2.429159861825058 (1.01985e-08% change) linmin: converged after 6 iterations. iteration 713: trace = 2.429159861654926 (7.00372e-09% change) linmin: converged after 4 iterations. iteration 714: trace = 2.429159861493386 (6.65006e-09% change) linmin: converged after 7 iterations. iteration 715: trace = 2.42915986120419 (1.19052e-08% change) linmin: converged after 6 iterations. iteration 716: trace = 2.42915986112252 (3.36206e-09% change) large trace change predicted (7.07413e-09%) linmin: converged after 7 iterations. iteration 717: trace = 2.42915986095068 (7.07405e-09% change) linmin: converged after 12 iterations. iteration 718: trace = 2.429159860700708 (1.02905e-08% change) linmin: converged after 18 iterations. iteration 719: trace = 2.429159860617927 (3.4078e-09% change) linmin: converged after 23 iterations. iteration 720: trace = 2.429159860521937 (3.95157e-09% change) linmin: converged after 16 iterations. iteration 721: trace = 2.429159860440143 (3.36716e-09% change) linmin: converged after 4 iterations. iteration 722: trace = 2.429159860417119 (9.47828e-10% change) large trace change predicted (3.15202e-09%) linmin: converged after 4 iterations. iteration 723: trace = 2.429159860340548 (3.15215e-09% change) linmin: converged after 15 iterations. iteration 724: trace = 2.429159860295953 (1.83584e-09% change) linmin: converged after 9 iterations. iteration 725: trace = 2.429159860239705 (2.31553e-09% change) linmin: converged after 6 iterations. iteration 726: trace = 2.429159860196932 (1.76081e-09% change) large trace change predicted (5.06939e-09%) linmin: converged after 6 iterations. iteration 727: trace = 2.429159860073788 (5.06943e-09% change) linmin: converged after 22 iterations. iteration 728: trace = 2.42915986005199 (8.97334e-10% change) large trace change predicted (5.36955e-09%) linmin: converged after 4 iterations. iteration 729: trace = 2.429159859921552 (5.36969e-09% change) linmin: converged after 4 iterations. iteration 730: trace = 2.429159859801484 (4.94278e-09% change) linmin: converged after 4 iterations. iteration 731: trace = 2.429159859628455 (7.12299e-09% change) linmin: converged after 11 iterations. iteration 732: trace = 2.429159859563245 (2.68447e-09% change) large trace change predicted (7.67191e-09%) linmin: converged after 4 iterations. iteration 733: trace = 2.429159859376881 (7.67195e-09% change) linmin: converged after 4 iterations. iteration 734: trace = 2.429159859252292 (5.1289e-09% change) linmin: converged after 5 iterations. iteration 735: trace = 2.429159859139257 (4.65325e-09% change) linmin: converged after 7 iterations. iteration 736: trace = 2.42915985900953 (5.34042e-09% change) linmin: converged after 18 iterations. iteration 737: trace = 2.429159858931232 (3.22323e-09% change) linmin: converged after 4 iterations. iteration 738: trace = 2.429159858883374 (1.97017e-09% change) large trace change predicted (5.35956e-09%) linmin: converged after 9 iterations. iteration 739: trace = 2.42915985875318 (5.35963e-09% change) linmin: converged after 4 iterations. iteration 740: trace = 2.429159858672493 (3.32158e-09% change) linmin: converged after 16 iterations. iteration 741: trace = 2.429159858617272 (2.27326e-09% change) linmin: converged after 20 iterations. iteration 742: trace = 2.429159858552005 (2.68681e-09% change) linmin: converged after 9 iterations. iteration 743: trace = 2.429159858526139 (1.06479e-09% change) linmin: converged after 7 iterations. iteration 744: trace = 2.429159858485464 (1.67447e-09% change) linmin: converged after 17 iterations. iteration 745: trace = 2.429159858428432 (2.34781e-09% change) linmin: converged after 4 iterations. iteration 746: trace = 2.429159858394494 (1.3971e-09% change) linmin: converged after 2 iterations. iteration 747: trace = 2.429159858376924 (7.23293e-10% change) large trace change predicted (2.67914e-09%) linmin: converged after 11 iterations. iteration 748: trace = 2.429159858311844 (2.67913e-09% change) linmin: converged after 6 iterations. iteration 749: trace = 2.429159858297105 (6.06748e-10% change) large trace change predicted (4.60515e-09%) linmin: converged after 8 iterations. iteration 750: trace = 2.429159858185237 (4.60519e-09% change) linmin: converged after 25 iterations. iteration 751: trace = 2.429159858070221 (4.73484e-09% change) linmin: converged after 13 iterations. iteration 752: trace = 2.429159857999704 (2.90293e-09% change) linmin: converged after 14 iterations. iteration 753: trace = 2.429159857874695 (5.14616e-09% change) linmin: converged after 4 iterations. iteration 754: trace = 2.429159857737366 (5.65336e-09% change) linmin: converged after 4 iterations. iteration 755: trace = 2.429159857643179 (3.87734e-09% change) linmin: converged after 15 iterations. iteration 756: trace = 2.42915985751941 (5.09514e-09% change) linmin: converged after 4 iterations. iteration 757: trace = 2.429159857414316 (4.32634e-09% change) linmin: converged after 4 iterations. iteration 758: trace = 2.429159857390589 (9.76786e-10% change) large trace change predicted (2.9025e-09%) linmin: converged after 8 iterations. iteration 759: trace = 2.429159857320083 (2.90248e-09% change) linmin: converged after 17 iterations. iteration 760: trace = 2.429159857269182 (2.09542e-09% change) linmin: converged after 3 iterations. iteration 761: trace = 2.429159857240542 (1.179e-09% change) linmin: converged after 21 iterations. iteration 762: trace = 2.429159857183744 (2.33818e-09% change) linmin: converged after 4 iterations. iteration 763: trace = 2.429159857119314 (2.65237e-09% change) linmin: converged after 4 iterations. iteration 764: trace = 2.42915985710589 (5.52598e-10% change) large trace change predicted (3.08551e-09%) linmin: converged after 14 iterations. iteration 765: trace = 2.429159857030935 (3.08562e-09% change) linmin: converged after 3 iterations. iteration 766: trace = 2.429159856986197 (1.84172e-09% change) linmin: converged after 4 iterations. iteration 767: trace = 2.429159856963364 (9.39967e-10% change) linmin: converged after 3 iterations. iteration 768: trace = 2.429159856926341 (1.52408e-09% change) large trace change predicted (3.62215e-09%) linmin: converged after 3 iterations. iteration 769: trace = 2.429159856838353 (3.62219e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 770: trace = 2.429159856799472 (1.60059e-09% change) linmin: converged after 4 iterations. iteration 771: trace = 2.429159856746584 (2.17719e-09% change) linmin: converged after 15 iterations. iteration 772: trace = 2.429159856716447 (1.24064e-09% change) linmin: converged after 4 iterations. iteration 773: trace = 2.429159856692969 (9.66493e-10% change) linmin: converged after 22 iterations. iteration 774: trace = 2.429159856646284 (1.92189e-09% change) linmin: converged after 4 iterations. iteration 775: trace = 2.429159856610489 (1.47355e-09% change) linmin: converged after 2 iterations. iteration 776: trace = 2.429159856584426 (1.07289e-09% change) large trace change predicted (2.55169e-09%) linmin: converged after 17 iterations. iteration 777: trace = 2.42915985652244 (2.55176e-09% change) linmin: converged after 14 iterations. iteration 778: trace = 2.429159856504473 (7.39637e-10% change) large trace change predicted (1.88245e-09%) linmin: converged after 6 iterations. iteration 779: trace = 2.429159856458738 (1.88273e-09% change) linmin: converged after 6 iterations. iteration 780: trace = 2.429159856419581 (1.61198e-09% change) linmin: converged after 18 iterations. iteration 781: trace = 2.429159856393265 (1.08333e-09% change) linmin: converged after 7 iterations. iteration 782: trace = 2.429159856353518 (1.63624e-09% change) linmin: converged after 9 iterations. iteration 783: trace = 2.429159856283865 (2.86738e-09% change) linmin: converged after 4 iterations. iteration 784: trace = 2.429159856262734 (8.69875e-10% change) large trace change predicted (3.35012e-09%) linmin: converged after 21 iterations. iteration 785: trace = 2.429159856181355 (3.3501e-09% change) linmin: converged after 8 iterations. iteration 786: trace = 2.429159856082024 (4.08912e-09% change) linmin: converged after 8 iterations. iteration 787: trace = 2.429159856052705 (1.20693e-09% change) large trace change predicted (3.68821e-09%) linmin: converged after 9 iterations. iteration 788: trace = 2.429159855963104 (3.68857e-09% change) linmin: converged after 21 iterations. iteration 789: trace = 2.429159855906845 (2.316e-09% change) linmin: converged after 4 iterations. iteration 790: trace = 2.429159855878486 (1.16744e-09% change) linmin: converged after 6 iterations. iteration 791: trace = 2.429159855854222 (9.9887e-10% change) linmin: converged after 4 iterations. iteration 792: trace = 2.429159855829516 (1.01704e-09% change) linmin: converged after 15 iterations. iteration 793: trace = 2.429159855821952 (3.11372e-10% change) linmin: converged after 15 iterations. iteration 794: trace = 2.429159855807795 (5.82817e-10% change) linmin: converged after 5 iterations. iteration 795: trace = 2.42915985578569 (9.09966e-10% change) linmin: converged after 25 iterations. iteration 796: trace = 2.42915985577738 (3.42104e-10% change) large trace change predicted (1.07094e-09%) linmin: converged after 16 iterations. iteration 797: trace = 2.429159855751367 (1.07084e-09% change) linmin: converged after 4 iterations. iteration 798: trace = 2.42915985573058 (8.55743e-10% change) linmin: converged after 16 iterations. iteration 799: trace = 2.429159855714111 (6.77991e-10% change) large trace change predicted (2.15748e-09%) linmin: converged after 16 iterations. iteration 800: trace = 2.429159855661696 (2.15772e-09% change) linmin: converged after 19 iterations. iteration 801: trace = 2.429159855624209 (1.5432e-09% change) linmin: converged after 6 iterations. iteration 802: trace = 2.429159855605723 (7.61026e-10% change) large trace change predicted (1.77823e-09%) linmin: converged after 4 iterations. iteration 803: trace = 2.429159855562526 (1.77823e-09% change) linmin: converged after 24 iterations. iteration 804: trace = 2.429159855534095 (1.17042e-09% change) linmin: converged after 6 iterations. iteration 805: trace = 2.429159855512275 (8.98266e-10% change) large trace change predicted (3.05571e-09%) linmin: converged after 22 iterations. iteration 806: trace = 2.429159855438048 (3.05564e-09% change) linmin: converged after 17 iterations. iteration 807: trace = 2.42915985540259 (1.45969e-09% change) linmin: converged after 3 iterations. iteration 808: trace = 2.429159855367566 (1.44181e-09% change) linmin: converged after 4 iterations. iteration 809: trace = 2.429159855322313 (1.86291e-09% change) linmin: converged after 6 iterations. iteration 810: trace = 2.429159855291077 (1.28587e-09% change) linmin: converged after 13 iterations. iteration 811: trace = 2.429159855278996 (4.97333e-10% change) linmin: converged after 3 iterations. iteration 812: trace = 2.429159855256762 (9.15305e-10% change) linmin: converged after 18 iterations. iteration 813: trace = 2.42915985523806 (7.69875e-10% change) linmin: converged after 9 iterations. iteration 814: trace = 2.429159855224551 (5.56108e-10% change) linmin: converged after 13 iterations. iteration 815: trace = 2.429159855203754 (8.56164e-10% change) linmin: converged after 4 iterations. iteration 816: trace = 2.429159855200197 (1.46417e-10% change) large trace change predicted (5.14569e-10%) linmin: converged after 4 iterations. iteration 817: trace = 2.429159855187692 (5.14791e-10% change) linmin: converged after 4 iterations. iteration 818: trace = 2.429159855171314 (6.74225e-10% change) linmin: converged after 15 iterations. iteration 819: trace = 2.429159855164816 (2.67496e-10% change) large trace change predicted (7.95636e-10%) linmin: converged after 12 iterations. iteration 820: trace = 2.429159855145489 (7.95633e-10% change) linmin: converged after 4 iterations. iteration 821: trace = 2.429159855112638 (1.35234e-09% change) linmin: converged after 6 iterations. iteration 822: trace = 2.429159855100644 (4.93749e-10% change) large trace change predicted (1.91275e-09%) linmin: converged after 5 iterations. iteration 823: trace = 2.42915985505418 (1.91279e-09% change) linmin: converged after 25 iterations. iteration 824: trace = 2.429159855017095 (1.52666e-09% change) linmin: converged after 6 iterations. iteration 825: trace = 2.429159854997339 (8.13293e-10% change) large trace change predicted (1.63686e-09%) linmin: converged after 4 iterations. iteration 826: trace = 2.429159854957575 (1.63692e-09% change) linmin: converged after 4 iterations. iteration 827: trace = 2.42915985491432 (1.78068e-09% change) linmin: converged after 4 iterations. iteration 828: trace = 2.429159854907358 (2.86601e-10% change) large trace change predicted (1.79346e-09%) linmin: converged after 4 iterations. iteration 829: trace = 2.42915985486379 (1.79353e-09% change) linmin: converged after 18 iterations. iteration 830: trace = 2.429159854846151 (7.26108e-10% change) linmin: converged after 3 iterations. iteration 831: trace = 2.429159854836618 (3.92469e-10% change) large trace change predicted (1.09824e-09%) linmin: converged after 5 iterations. iteration 832: trace = 2.429159854809941 (1.09819e-09% change) linmin: converged after 4 iterations. iteration 833: trace = 2.429159854791 (7.79747e-10% change) linmin: converged after 15 iterations. iteration 834: trace = 2.429159854773403 (7.24408e-10% change) linmin: converged after 5 iterations. iteration 835: trace = 2.429159854767259 (2.52926e-10% change) large trace change predicted (8.75339e-10%) linmin: converged after 5 iterations. iteration 836: trace = 2.429159854745992 (8.75451e-10% change) linmin: converged after 12 iterations. iteration 837: trace = 2.429159854741384 (1.89726e-10% change) linmin: converged after 12 iterations. iteration 838: trace = 2.429159854734171 (2.96911e-10% change) large trace change predicted (8.58242e-10%) linmin: converged after 5 iterations. iteration 839: trace = 2.42915985471332 (8.58358e-10% change) resetting CG direction... linmin: converged after 10 iterations. iteration 840: trace = 2.429159854701076 (5.0406e-10% change) linmin: converged after 3 iterations. iteration 841: trace = 2.429159854691718 (3.8523e-10% change) linmin: converged after 14 iterations. iteration 842: trace = 2.429159854683122 (3.53859e-10% change) linmin: converged after 4 iterations. iteration 843: trace = 2.429159854676287 (2.8139e-10% change) large trace change predicted (6.23336e-10%) linmin: converged after 4 iterations. iteration 844: trace = 2.429159854661141 (6.23512e-10% change) linmin: converged after 17 iterations. iteration 845: trace = 2.429159854645709 (6.35285e-10% change) linmin: converged after 12 iterations. iteration 846: trace = 2.429159854639871 (2.40312e-10% change) large trace change predicted (7.04149e-10%) linmin: converged after 8 iterations. iteration 847: trace = 2.429159854622764 (7.04225e-10% change) linmin: converged after 17 iterations. iteration 848: trace = 2.429159854607093 (6.45121e-10% change) linmin: converged after 4 iterations. iteration 849: trace = 2.429159854597993 (3.74626e-10% change) linmin: converged after 13 iterations. iteration 850: trace = 2.42915985458078 (7.08595e-10% change) linmin: converged after 17 iterations. iteration 851: trace = 2.429159854558398 (9.21411e-10% change) linmin: converged after 4 iterations. iteration 852: trace = 2.429159854548534 (4.06034e-10% change) large trace change predicted (1.13783e-09%) linmin: converged after 5 iterations. iteration 853: trace = 2.429159854520895 (1.13781e-09% change) linmin: converged after 7 iterations. iteration 854: trace = 2.429159854512265 (3.55285e-10% change) large trace change predicted (1.17134e-09%) linmin: converged after 5 iterations. iteration 855: trace = 2.429159854483814 (1.17123e-09% change) linmin: converged after 3 iterations. iteration 856: trace = 2.429159854463911 (8.19308e-10% change) linmin: converged after 4 iterations. iteration 857: trace = 2.429159854456307 (3.13054e-10% change) large trace change predicted (1.03806e-09%) linmin: converged after 6 iterations. iteration 858: trace = 2.429159854431086 (1.03825e-09% change) linmin: converged after 3 iterations. iteration 859: trace = 2.429159854414688 (6.75066e-10% change) linmin: converged after 5 iterations. iteration 860: trace = 2.42915985440996 (1.94626e-10% change) linmin: converged after 4 iterations. iteration 861: trace = 2.429159854403379 (2.70897e-10% change) linmin: converged after 3 iterations. iteration 862: trace = 2.42915985439579 (3.12432e-10% change) linmin: converged after 3 iterations. iteration 863: trace = 2.429159854393068 (1.12066e-10% change) linmin: converged after 19 iterations. iteration 864: trace = 2.429159854388425 (1.91134e-10% change) linmin: converged after 19 iterations. iteration 865: trace = 2.429159854379216 (3.79105e-10% change) linmin: converged after 6 iterations. iteration 866: trace = 2.429159854377398 (7.48266e-11% change) Finished solving for bands 1 to 10 after 866 iterations. tmfreqs:, 9, 0.166667, 0.166667, 0, 0.235702, 0.162353, 0.295874, 0.356214, 0.372161, 0.504258, 0.506735, 0.537355, 0.633231, 0.645916, 0.65717 elapsed time for k point: 20.642446994781494 solve_kpoint (0,0,0): Solving for bands 2 to 10... linmin: converged after 4 iterations. iteration 1: trace = 2.433380540443908 (3.19205% change) linmin: converged after 4 iterations. iteration 2: trace = 2.422814270845926 (0.435167% change) linmin: converged after 4 iterations. iteration 3: trace = 2.410436633345728 (0.512187% change) linmin: converged after 3 iterations. iteration 4: trace = 2.404737571830875 (0.236713% change) linmin: converged after 4 iterations. iteration 5: trace = 2.402921500695339 (0.0755491% change) linmin: converged after 4 iterations. iteration 6: trace = 2.401560398915169 (0.0566597% change) linmin: converged after 4 iterations. iteration 7: trace = 2.401273649453677 (0.0119408% change) large trace change predicted (0.0255602%) linmin: converged after 4 iterations. iteration 8: trace = 2.400660459304371 (0.0255393% change) linmin: converged after 3 iterations. iteration 9: trace = 2.400394246180625 (0.0110898% change) linmin: converged after 4 iterations. iteration 10: trace = 2.400303559085161 (0.00377808% change) linmin: converged after 4 iterations. iteration 11: trace = 2.400130188695215 (0.00722311% change) linmin: converged after 3 iterations. iteration 12: trace = 2.400008428418248 (0.0050732% change) linmin: converged after 4 iterations. iteration 13: trace = 2.399912618969685 (0.00399213% change) large trace change predicted (0.0102643%) linmin: converged after 4 iterations. iteration 14: trace = 2.399666162208103 (0.0102699% change) linmin: converged after 4 iterations. iteration 15: trace = 2.399556898464543 (0.00455339% change) linmin: converged after 4 iterations. iteration 16: trace = 2.399371920601187 (0.00770913% change) linmin: converged after 3 iterations. iteration 17: trace = 2.399289107657486 (0.0034515% change) large trace change predicted (0.00782311%) linmin: converged after 4 iterations. iteration 18: trace = 2.399101380466638 (0.00782459% change) linmin: converged after 4 iterations. iteration 19: trace = 2.398879607343093 (0.00924444% change) linmin: converged after 6 iterations. iteration 20: trace = 2.398649900044041 (0.00957607% change) large trace change predicted (0.0239448%) linmin: converged after 4 iterations. iteration 21: trace = 2.398075312221482 (0.0239575% change) linmin: converged after 3 iterations. iteration 22: trace = 2.397887143624137 (0.00784696% change) linmin: converged after 4 iterations. iteration 23: trace = 2.397522325941974 (0.0152153% change) linmin: converged after 5 iterations. iteration 24: trace = 2.397281858636066 (0.0100303% change) linmin: converged after 4 iterations. iteration 25: trace = 2.396981285049889 (0.0125389% change) linmin: converged after 4 iterations. iteration 26: trace = 2.396715640950408 (0.0110831% change) linmin: converged after 4 iterations. iteration 27: trace = 2.396618634307997 (0.00404756% change) large trace change predicted (0.00900769%) linmin: converged after 4 iterations. iteration 28: trace = 2.39640287096897 (0.00900323% change) linmin: converged after 5 iterations. iteration 29: trace = 2.396349203684576 (0.00223952% change) linmin: converged after 4 iterations. iteration 30: trace = 2.396256460549653 (0.00387026% change) linmin: converged after 3 iterations. iteration 31: trace = 2.396207672473087 (0.00203603% change) linmin: converged after 4 iterations. iteration 32: trace = 2.396167671844039 (0.00166934% change) large trace change predicted (0.00396794%) linmin: converged after 4 iterations. iteration 33: trace = 2.396072600306302 (0.00396773% change) linmin: converged after 10 iterations. iteration 34: trace = 2.396038797047905 (0.00141079% change) large trace change predicted (0.00652598%) linmin: converged after 3 iterations. iteration 35: trace = 2.395882486755531 (0.00652391% change) linmin: converged after 4 iterations. iteration 36: trace = 2.39583268550148 (0.00207864% change) large trace change predicted (0.00897502%) linmin: converged after 19 iterations. iteration 37: trace = 2.395617670293436 (0.00897495% change) linmin: converged after 4 iterations. iteration 38: trace = 2.395533925149891 (0.00349583% change) large trace change predicted (0.00705092%) linmin: converged after 4 iterations. iteration 39: trace = 2.395364976008042 (0.00705292% change) linmin: converged after 4 iterations. iteration 40: trace = 2.395255848588221 (0.00455588% change) linmin: converged after 3 iterations. iteration 41: trace = 2.395086682673956 (0.00706279% change) linmin: converged after 3 iterations. iteration 42: trace = 2.395028276850285 (0.0024386% change) large trace change predicted (0.00633155%) linmin: converged after 4 iterations. iteration 43: trace = 2.394876576935001 (0.00633415% change) linmin: converged after 5 iterations. iteration 44: trace = 2.394823829384971 (0.00220254% change) large trace change predicted (0.00784733%) linmin: converged after 4 iterations. iteration 45: trace = 2.394635887865348 (0.00784813% change) linmin: converged after 4 iterations. iteration 46: trace = 2.394551761799004 (0.00351317% change) large trace change predicted (0.0073079%) linmin: converged after 4 iterations. iteration 47: trace = 2.39437664010452 (0.00731361% change) linmin: converged after 3 iterations. iteration 48: trace = 2.394320470662205 (0.00234592% change) large trace change predicted (0.0069281%) linmin: converged after 4 iterations. iteration 49: trace = 2.394154559956638 (0.00692958% change) linmin: converged after 4 iterations. iteration 50: trace = 2.394120839362857 (0.00140847% change) linmin: converged after 4 iterations. iteration 51: trace = 2.394082460171509 (0.00160307% change) linmin: converged after 5 iterations. iteration 52: trace = 2.394061914459259 (0.000858191% change) linmin: converged after 3 iterations. iteration 53: trace = 2.394035856508216 (0.00108845% change) linmin: converged after 4 iterations. iteration 54: trace = 2.394025508527441 (0.000432241% change) large trace change predicted (0.00106382%) linmin: converged after 4 iterations. iteration 55: trace = 2.394000031388523 (0.0010642% change) linmin: converged after 15 iterations. iteration 56: trace = 2.393990078074366 (0.000415762% change) large trace change predicted (0.00147078%) linmin: converged after 7 iterations. iteration 57: trace = 2.393954870434198 (0.00147068% change) linmin: converged after 4 iterations. iteration 58: trace = 2.393941142087391 (0.000573461% change) large trace change predicted (0.00230683%) linmin: converged after 4 iterations. iteration 59: trace = 2.393885915757343 (0.00230695% change) linmin: converged after 5 iterations. iteration 60: trace = 2.393856958966908 (0.00120962% change) large trace change predicted (0.00352012%) linmin: converged after 4 iterations. iteration 61: trace = 2.393772751502206 (0.00351771% change) linmin: converged after 5 iterations. iteration 62: trace = 2.393670096484641 (0.00428851% change) linmin: converged after 4 iterations. iteration 63: trace = 2.393605449449459 (0.00270079% change) linmin: converged after 2 iterations. iteration 64: trace = 2.39348721716155 (0.00493963% change) linmin: converged after 12 iterations. iteration 65: trace = 2.393448255782342 (0.00162782% change) linmin: converged after 3 iterations. iteration 66: trace = 2.393405376638453 (0.00179154% change) linmin: converged after 4 iterations. iteration 67: trace = 2.393387851887911 (0.000732213% change) linmin: converged after 4 iterations. iteration 68: trace = 2.393359848955133 (0.00117002% change) linmin: converged after 4 iterations. iteration 69: trace = 2.39334836002617 (0.000480035% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.393343745289685 (0.000192815% change) linmin: converged after 5 iterations. iteration 71: trace = 2.393336290163514 (0.000311495% change) linmin: converged after 5 iterations. iteration 72: trace = 2.393333528458225 (0.000115392% change) linmin: converged after 5 iterations. iteration 73: trace = 2.393329051569193 (0.000187057% change) large trace change predicted (0.000413346%) linmin: converged after 4 iterations. iteration 74: trace = 2.393319158534369 (0.00041336% change) linmin: converged after 4 iterations. iteration 75: trace = 2.393315853870198 (0.000138079% change) large trace change predicted (0.000436214%) linmin: converged after 2 iterations. iteration 76: trace = 2.39330541376668 (0.00043622% change) linmin: converged after 4 iterations. iteration 77: trace = 2.393296326460743 (0.000379698% change) linmin: converged after 4 iterations. iteration 78: trace = 2.393291292967413 (0.000210317% change) large trace change predicted (0.000432557%) linmin: converged after 4 iterations. iteration 79: trace = 2.393280939562352 (0.000432602% change) linmin: converged after 4 iterations. iteration 80: trace = 2.39327663525763 (0.00017985% change) large trace change predicted (0.000406519%) linmin: converged after 4 iterations. iteration 81: trace = 2.393266901750644 (0.000406703% change) linmin: converged after 4 iterations. iteration 82: trace = 2.393256954513477 (0.000415635% change) large trace change predicted (0.000838335%) linmin: converged after 3 iterations. iteration 83: trace = 2.393236893839753 (0.00083822% change) linmin: converged after 3 iterations. iteration 84: trace = 2.393229151551698 (0.000323507% change) large trace change predicted (0.000990682%) linmin: converged after 4 iterations. iteration 85: trace = 2.393205436576264 (0.000990924% change) linmin: converged after 4 iterations. iteration 86: trace = 2.393198578307199 (0.000286573% change) large trace change predicted (0.000615433%) linmin: converged after 3 iterations. iteration 87: trace = 2.393183852797637 (0.000615309% change) linmin: converged after 4 iterations. iteration 88: trace = 2.393179757428099 (0.000171127% change) linmin: converged after 4 iterations. iteration 89: trace = 2.393172467192238 (0.000304626% change) linmin: converged after 4 iterations. iteration 90: trace = 2.393169671714642 (0.000116811% change) linmin: converged after 3 iterations. iteration 91: trace = 2.393166883827487 (0.000116494% change) linmin: converged after 4 iterations. iteration 92: trace = 2.393163551325879 (0.000139251% change) linmin: converged after 4 iterations. iteration 93: trace = 2.393162792558882 (3.17056e-05% change) large trace change predicted (8.2246e-05%) linmin: converged after 2 iterations. iteration 94: trace = 2.39316082390683 (8.22616e-05% change) linmin: converged after 5 iterations. iteration 95: trace = 2.393159318219231 (6.29163e-05% change) linmin: converged after 4 iterations. iteration 96: trace = 2.393158376036829 (3.93698e-05% change) large trace change predicted (9.19929e-05%) linmin: converged after 3 iterations. iteration 97: trace = 2.393156174692149 (9.1985e-05% change) linmin: converged after 4 iterations. iteration 98: trace = 2.39315509903598 (4.49472e-05% change) linmin: converged after 4 iterations. iteration 99: trace = 2.393153692442706 (5.87757e-05% change) large trace change predicted (0.00011818%) linmin: converged after 4 iterations. iteration 100: trace = 2.393150863866867 (0.000118195% change) linmin: converged after 8 iterations. iteration 101: trace = 2.393149740538012 (4.69393e-05% change) linmin: converged after 3 iterations. iteration 102: trace = 2.393148415427696 (5.5371e-05% change) large trace change predicted (0.000131314%) linmin: converged after 5 iterations. iteration 103: trace = 2.393145273280542 (0.000131298% change) linmin: converged after 2 iterations. iteration 104: trace = 2.393143669401702 (6.70197e-05% change) linmin: converged after 5 iterations. iteration 105: trace = 2.393142533348935 (4.74712e-05% change) large trace change predicted (0.000112145%) linmin: converged after 4 iterations. iteration 106: trace = 2.393139849250136 (0.000112158% change) linmin: converged after 4 iterations. iteration 107: trace = 2.393137817393968 (8.49034e-05% change) linmin: converged after 12 iterations. iteration 108: trace = 2.393136704130331 (4.6519e-05% change) large trace change predicted (0.000101756%) linmin: converged after 3 iterations. iteration 109: trace = 2.393134269347164 (0.00010174% change) linmin: converged after 3 iterations. iteration 110: trace = 2.393131325463725 (0.000123014% change) linmin: converged after 2 iterations. iteration 111: trace = 2.393130135487137 (4.97247e-05% change) linmin: converged after 5 iterations. iteration 112: trace = 2.393128824267314 (5.4791e-05% change) large trace change predicted (0.000127429%) linmin: converged after 2 iterations. iteration 113: trace = 2.393125774190403 (0.000127452% change) linmin: converged after 4 iterations. iteration 114: trace = 2.393123385982424 (9.97946e-05% change) linmin: converged after 4 iterations. iteration 115: trace = 2.393122031517405 (5.65982e-05% change) large trace change predicted (0.000116378%) linmin: converged after 5 iterations. iteration 116: trace = 2.393119246533655 (0.000116375% change) linmin: converged after 3 iterations. iteration 117: trace = 2.39311473425312 (0.000188552% change) linmin: converged after 5 iterations. iteration 118: trace = 2.393112592624688 (8.94913e-05% change) linmin: converged after 4 iterations. iteration 119: trace = 2.393111107995308 (6.20376e-05% change) large trace change predicted (0.000135552%) linmin: converged after 4 iterations. iteration 120: trace = 2.393107863849913 (0.000135562% change) linmin: converged after 4 iterations. iteration 121: trace = 2.39310461183116 (0.000135891% change) linmin: converged after 5 iterations. iteration 122: trace = 2.393103201879602 (5.89173e-05% change) linmin: converged after 4 iterations. iteration 123: trace = 2.393101406094368 (7.50401e-05% change) linmin: converged after 3 iterations. iteration 124: trace = 2.393098182873616 (0.000134688% change) linmin: converged after 5 iterations. iteration 125: trace = 2.393096476832181 (7.12901e-05% change) linmin: converged after 3 iterations. iteration 126: trace = 2.393095499942862 (4.08212e-05% change) large trace change predicted (8.82179e-05%) linmin: converged after 2 iterations. iteration 127: trace = 2.393093388798312 (8.82182e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 2.393091334430655 (8.58457e-05% change) linmin: converged after 5 iterations. iteration 129: trace = 2.393090633976008 (2.92699e-05% change) linmin: converged after 6 iterations. iteration 130: trace = 2.393089820989904 (3.39722e-05% change) linmin: converged after 4 iterations. iteration 131: trace = 2.393088521909926 (5.42846e-05% change) linmin: converged after 3 iterations. iteration 132: trace = 2.393088028506677 (2.06178e-05% change) linmin: converged after 4 iterations. iteration 133: trace = 2.393087763775035 (1.10623e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 2.393087259231091 (2.10834e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 2.393086937049219 (1.3463e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 2.393086725461289 (8.84163e-06% change) large trace change predicted (2.47207e-05%) linmin: converged after 9 iterations. iteration 137: trace = 2.393086133884916 (2.47202e-05% change) linmin: converged after 4 iterations. iteration 138: trace = 2.39308566554791 (1.95704e-05% change) linmin: converged after 3 iterations. iteration 139: trace = 2.393085449601296 (9.02377e-06% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 2.39308502884997 (1.7582e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 2.393084536958866 (2.05547e-05% change) linmin: converged after 3 iterations. iteration 142: trace = 2.393083820482782 (2.99394e-05% change) linmin: converged after 4 iterations. iteration 143: trace = 2.393083526739307 (1.22747e-05% change) large trace change predicted (4.71917e-05%) linmin: converged after 2 iterations. iteration 144: trace = 2.393082397382467 (4.71925e-05% change) linmin: converged after 3 iterations. iteration 145: trace = 2.39308066676745 (7.23174e-05% change) linmin: converged after 4 iterations. iteration 146: trace = 2.393079816571708 (3.55273e-05% change) large trace change predicted (0.000101402%) linmin: converged after 2 iterations. iteration 147: trace = 2.393077389834342 (0.000101407% change) linmin: converged after 3 iterations. iteration 148: trace = 2.393076080789317 (5.47013e-05% change) linmin: converged after 2 iterations. iteration 149: trace = 2.393074908838823 (4.89726e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 2.393073055168203 (7.74598e-05% change) linmin: converged after 4 iterations. iteration 151: trace = 2.393072214325346 (3.51365e-05% change) linmin: converged after 3 iterations. iteration 152: trace = 2.393070903220508 (5.47875e-05% change) linmin: converged after 4 iterations. iteration 153: trace = 2.393070066007435 (3.49849e-05% change) linmin: converged after 3 iterations. iteration 154: trace = 2.393069538738395 (2.20332e-05% change) linmin: converged after 4 iterations. iteration 155: trace = 2.393068663668274 (3.65669e-05% change) linmin: converged after 4 iterations. iteration 156: trace = 2.393068316374694 (1.45125e-05% change) linmin: converged after 2 iterations. iteration 157: trace = 2.393067753825754 (2.35074e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 2.39306703832884 (2.98987e-05% change) linmin: converged after 3 iterations. iteration 159: trace = 2.393066739158407 (1.25015e-05% change) large trace change predicted (3.14955e-05%) linmin: converged after 2 iterations. iteration 160: trace = 2.393065985438088 (3.1496e-05% change) linmin: converged after 2 iterations. iteration 161: trace = 2.393065805975977 (7.49925e-06% change) large trace change predicted (3.2449e-05%) linmin: converged after 3 iterations. iteration 162: trace = 2.393065029487567 (3.24474e-05% change) linmin: converged after 2 iterations. iteration 163: trace = 2.393064669039104 (1.50622e-05% change) linmin: converged after 2 iterations. iteration 164: trace = 2.393064330504958 (1.41465e-05% change) large trace change predicted (4.74953e-05%) linmin: converged after 4 iterations. iteration 165: trace = 2.393063193941383 (4.74941e-05% change) linmin: converged after 4 iterations. iteration 166: trace = 2.393062780381473 (1.72816e-05% change) large trace change predicted (0.000101911%) linmin: converged after 5 iterations. iteration 167: trace = 2.39306034154255 (0.000101913% change) linmin: converged after 2 iterations. iteration 168: trace = 2.393059051116956 (5.39237e-05% change) linmin: converged after 3 iterations. iteration 169: trace = 2.393057311660742 (7.26876e-05% change) linmin: converged after 2 iterations. iteration 170: trace = 2.393055656564893 (6.91624e-05% change) linmin: converged after 4 iterations. iteration 171: trace = 2.39305490407619 (3.14447e-05% change) linmin: converged after 3 iterations. iteration 172: trace = 2.393053649332267 (5.24327e-05% change) linmin: converged after 12 iterations. iteration 173: trace = 2.393053130453571 (2.16827e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 2.393052444950696 (2.86455e-05% change) linmin: converged after 3 iterations. iteration 175: trace = 2.39305210922459 (1.40292e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 2.393051628308182 (2.00964e-05% change) linmin: converged after 2 iterations. iteration 177: trace = 2.393051361702711 (1.11408e-05% change) linmin: converged after 4 iterations. iteration 178: trace = 2.393051191533071 (7.11099e-06% change) large trace change predicted (1.64433e-05%) linmin: converged after 2 iterations. iteration 179: trace = 2.393050798027882 (1.64437e-05% change) linmin: converged after 6 iterations. iteration 180: trace = 2.393050730610346 (2.81722e-06% change) large trace change predicted (1.09261e-05%) linmin: converged after 2 iterations. iteration 181: trace = 2.393050469140827 (1.09262e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 2.393050352370547 (4.87956e-06% change) linmin: converged after 30 iterations. iteration 183: trace = 2.393050240136758 (4.68999e-06% change) linmin: converged after 2 iterations. iteration 184: trace = 2.39305012344129 (4.87643e-06% change) linmin: converged after 3 iterations. iteration 185: trace = 2.393050007224261 (4.85644e-06% change) large trace change predicted (3.59006e-05%) linmin: converged after 3 iterations. iteration 186: trace = 2.393049148137522 (3.58992e-05% change) linmin: converged after 4 iterations. iteration 187: trace = 2.393048897864501 (1.04583e-05% change) large trace change predicted (5.16567e-05%) linmin: converged after 10 iterations. iteration 188: trace = 2.393047661810293 (5.16519e-05% change) linmin: converged after 2 iterations. iteration 189: trace = 2.393047288582124 (1.55964e-05% change) large trace change predicted (4.74302e-05%) linmin: converged after 2 iterations. iteration 190: trace = 2.393046153552176 (4.74303e-05% change) linmin: converged after 3 iterations. iteration 191: trace = 2.393045660119894 (2.06194e-05% change) linmin: converged after 3 iterations. iteration 192: trace = 2.393044848532964 (3.39144e-05% change) linmin: converged after 2 iterations. iteration 193: trace = 2.393044152710887 (2.90769e-05% change) linmin: converged after 3 iterations. iteration 194: trace = 2.393043747296282 (1.69414e-05% change) linmin: converged after 3 iterations. iteration 195: trace = 2.393043452226482 (1.23303e-05% change) linmin: converged after 2 iterations. iteration 196: trace = 2.393043367892586 (3.52413e-06% change) linmin: converged after 3 iterations. iteration 197: trace = 2.393043233774954 (5.60448e-06% change) linmin: converged after 3 iterations. iteration 198: trace = 2.393043202141304 (1.3219e-06% change) linmin: converged after 3 iterations. iteration 199: trace = 2.393043140861097 (2.56076e-06% change) linmin: converged after 3 iterations. iteration 200: trace = 2.393043111103555 (1.2435e-06% change) linmin: converged after 2 iterations. iteration 201: trace = 2.393043071055111 (1.67354e-06% change) large trace change predicted (3.98465e-06%) linmin: converged after 2 iterations. iteration 202: trace = 2.39304297570062 (3.98465e-06% change) linmin: converged after 4 iterations. iteration 203: trace = 2.393042910833788 (2.71064e-06% change) large trace change predicted (5.69781e-06%) linmin: converged after 2 iterations. iteration 204: trace = 2.393042774477892 (5.69801e-06% change) linmin: converged after 4 iterations. iteration 205: trace = 2.393042679468776 (3.97022e-06% change) linmin: converged after 2 iterations. iteration 206: trace = 2.393042568613512 (4.6324e-06% change) linmin: converged after 3 iterations. iteration 207: trace = 2.393042508364706 (2.51767e-06% change) large trace change predicted (5.53465e-06%) linmin: converged after 18 iterations. iteration 208: trace = 2.393042375921082 (5.53453e-06% change) linmin: converged after 3 iterations. iteration 209: trace = 2.393042310229137 (2.74512e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 210: trace = 2.393042263551757 (1.95055e-06% change) linmin: converged after 2 iterations. iteration 211: trace = 2.393042191343329 (3.01743e-06% change) linmin: converged after 3 iterations. iteration 212: trace = 2.393042159208187 (1.34286e-06% change) linmin: converged after 2 iterations. iteration 213: trace = 2.39304209725361 (2.58895e-06% change) linmin: converged after 2 iterations. iteration 214: trace = 2.393042008034098 (3.72829e-06% change) linmin: converged after 3 iterations. iteration 215: trace = 2.393041988174821 (8.29876e-07% change) large trace change predicted (2.7594e-06%) linmin: converged after 2 iterations. iteration 216: trace = 2.393041922139514 (2.75947e-06% change) linmin: converged after 2 iterations. iteration 217: trace = 2.39304191065354 (4.79974e-07% change) large trace change predicted (1.05679e-06%) linmin: converged after 2 iterations. iteration 218: trace = 2.393041885363711 (1.05681e-06% change) linmin: converged after 10 iterations. iteration 219: trace = 2.393041870454308 (6.23031e-07% change) linmin: converged after 2 iterations. iteration 220: trace = 2.393041860270376 (4.25564e-07% change) large trace change predicted (1.07954e-06%) linmin: converged after 2 iterations. iteration 221: trace = 2.393041834436323 (1.07955e-06% change) linmin: converged after 4 iterations. iteration 222: trace = 2.393041824340318 (4.2189e-07% change) large trace change predicted (2.20794e-06%) linmin: converged after 2 iterations. iteration 223: trace = 2.393041771502983 (2.20796e-06% change) linmin: converged after 11 iterations. iteration 224: trace = 2.393041731067234 (1.68972e-06% change) linmin: converged after 5 iterations. iteration 225: trace = 2.393041677725967 (2.22902e-06% change) linmin: converged after 2 iterations. iteration 226: trace = 2.393041595792564 (3.42382e-06% change) linmin: converged after 5 iterations. iteration 227: trace = 2.393041565391169 (1.27041e-06% change) large trace change predicted (2.87587e-06%) linmin: converged after 2 iterations. iteration 228: trace = 2.393041496569008 (2.87593e-06% change) linmin: converged after 2 iterations. iteration 229: trace = 2.393041460433195 (1.51004e-06% change) linmin: converged after 4 iterations. iteration 230: trace = 2.393041391788444 (2.86851e-06% change) linmin: converged after 2 iterations. iteration 231: trace = 2.393041352107085 (1.6582e-06% change) linmin: converged after 25 iterations. iteration 232: trace = 2.393041313737028 (1.6034e-06% change) linmin: converged after 18 iterations. iteration 233: trace = 2.393041296804725 (7.07564e-07% change) linmin: converged after 3 iterations. iteration 234: trace = 2.393041285423392 (4.75601e-07% change) linmin: converged after 2 iterations. iteration 235: trace = 2.393041270302679 (6.31862e-07% change) linmin: converged after 9 iterations. iteration 236: trace = 2.393041264402567 (2.46553e-07% change) large trace change predicted (8.41609e-07%) linmin: converged after 12 iterations. iteration 237: trace = 2.393041244262636 (8.41604e-07% change) linmin: converged after 13 iterations. iteration 238: trace = 2.393041234996021 (3.87232e-07% change) linmin: converged after 2 iterations. iteration 239: trace = 2.39304122302502 (5.00242e-07% change) linmin: converged after 9 iterations. iteration 240: trace = 2.393041213605773 (3.9361e-07% change) linmin: converged after 2 iterations. iteration 241: trace = 2.393041206373835 (3.02207e-07% change) linmin: converged after 2 iterations. iteration 242: trace = 2.393041200244062 (2.5615e-07% change) linmin: converged after 2 iterations. iteration 243: trace = 2.393041188949209 (4.71987e-07% change) linmin: converged after 2 iterations. iteration 244: trace = 2.39304118225587 (2.797e-07% change) large trace change predicted (8.07156e-07%) linmin: converged after 3 iterations. iteration 245: trace = 2.393041162939943 (8.07171e-07% change) linmin: converged after 4 iterations. iteration 246: trace = 2.393041142348072 (8.6049e-07% change) large trace change predicted (1.79366e-06%) linmin: converged after 2 iterations. iteration 247: trace = 2.393041099424753 (1.79367e-06% change) linmin: converged after 2 iterations. iteration 248: trace = 2.393041058235112 (1.72123e-06% change) linmin: converged after 7 iterations. iteration 249: trace = 2.393040993189666 (2.71811e-06% change) linmin: converged after 2 iterations. iteration 250: trace = 2.393040943073716 (2.09424e-06% change) large trace change predicted (5.70412e-06%) linmin: converged after 3 iterations. iteration 251: trace = 2.393040806572129 (5.70411e-06% change) linmin: converged after 2 iterations. iteration 252: trace = 2.393040766142772 (1.68946e-06% change) large trace change predicted (3.48826e-06%) linmin: converged after 4 iterations. iteration 253: trace = 2.39304068266847 (3.48821e-06% change) linmin: converged after 5 iterations. iteration 254: trace = 2.393040662878805 (8.26967e-07% change) large trace change predicted (1.7113e-06%) linmin: converged after 12 iterations. iteration 255: trace = 2.393040621927048 (1.71129e-06% change) linmin: converged after 19 iterations. iteration 256: trace = 2.39304061301991 (3.7221e-07% change) linmin: converged after 2 iterations. iteration 257: trace = 2.393040595884254 (7.16062e-07% change) linmin: converged after 3 iterations. iteration 258: trace = 2.393040590075302 (2.42744e-07% change) large trace change predicted (5.30346e-07%) linmin: converged after 6 iterations. iteration 259: trace = 2.393040577383956 (5.30344e-07% change) linmin: converged after 12 iterations. iteration 260: trace = 2.393040571405063 (2.49845e-07% change) large trace change predicted (5.10073e-07%) linmin: converged after 13 iterations. iteration 261: trace = 2.393040559198907 (5.10069e-07% change) linmin: converged after 3 iterations. iteration 262: trace = 2.39304054768731 (4.81045e-07% change) linmin: converged after 2 iterations. iteration 263: trace = 2.393040530831366 (7.04373e-07% change) linmin: converged after 3 iterations. iteration 264: trace = 2.393040516593679 (5.94962e-07% change) linmin: converged after 2 iterations. iteration 265: trace = 2.393040506125241 (4.37453e-07% change) large trace change predicted (1.35114e-06%) linmin: converged after 11 iterations. iteration 266: trace = 2.393040473792318 (1.35112e-06% change) linmin: converged after 4 iterations. iteration 267: trace = 2.393040464223768 (3.99849e-07% change) large trace change predicted (1.79378e-06%) linmin: converged after 13 iterations. iteration 268: trace = 2.393040421298389 (1.79376e-06% change) linmin: converged after 23 iterations. iteration 269: trace = 2.393040410675259 (4.43918e-07% change) large trace change predicted (1.67652e-06%) linmin: converged after 28 iterations. iteration 270: trace = 2.393040370556017 (1.6765e-06% change) linmin: converged after 6 iterations. iteration 271: trace = 2.393040347284755 (9.72456e-07% change) linmin: converged after 17 iterations. iteration 272: trace = 2.393040318102536 (1.21946e-06% change) large trace change predicted (2.59327e-06%) linmin: converged after 4 iterations. iteration 273: trace = 2.393040256045588 (2.59323e-06% change) linmin: converged after 2 iterations. iteration 274: trace = 2.393040229145719 (1.12409e-06% change) large trace change predicted (2.33597e-06%) linmin: converged after 4 iterations. iteration 275: trace = 2.393040173245435 (2.33595e-06% change) linmin: converged after 2 iterations. iteration 276: trace = 2.393040137066297 (1.51185e-06% change) linmin: converged after 2 iterations. iteration 277: trace = 2.393040092276517 (1.87167e-06% change) linmin: converged after 9 iterations. iteration 278: trace = 2.393040079006626 (5.5452e-07% change) large trace change predicted (1.17469e-06%) linmin: converged after 3 iterations. iteration 279: trace = 2.393040050895917 (1.17469e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 280: trace = 2.393040043584102 (3.05545e-07% change) linmin: converged after 6 iterations. iteration 281: trace = 2.393040035910132 (3.20679e-07% change) linmin: converged after 2 iterations. iteration 282: trace = 2.39304002554926 (4.32959e-07% change) linmin: converged after 4 iterations. iteration 283: trace = 2.393040020108439 (2.2736e-07% change) large trace change predicted (7.27753e-07%) linmin: converged after 3 iterations. iteration 284: trace = 2.393040002693031 (7.27753e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 2.393039984439687 (7.62768e-07% change) linmin: converged after 2 iterations. iteration 286: trace = 2.393039961230745 (9.69852e-07% change) linmin: converged after 2 iterations. iteration 287: trace = 2.393039933065368 (1.17697e-06% change) linmin: converged after 20 iterations. iteration 288: trace = 2.393039925243141 (3.26874e-07% change) large trace change predicted (7.62461e-07%) linmin: converged after 2 iterations. iteration 289: trace = 2.393039906997088 (7.62463e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 2.393039896953985 (4.1968e-07% change) linmin: converged after 3 iterations. iteration 291: trace = 2.393039885902561 (4.61815e-07% change) linmin: converged after 2 iterations. iteration 292: trace = 2.393039866000343 (8.31671e-07% change) linmin: converged after 2 iterations. iteration 293: trace = 2.393039858238609 (3.24346e-07% change) large trace change predicted (8.20026e-07%) linmin: converged after 4 iterations. iteration 294: trace = 2.393039838615123 (8.20023e-07% change) linmin: converged after 3 iterations. iteration 295: trace = 2.393039834963349 (1.526e-07% change) large trace change predicted (3.34975e-07%) linmin: converged after 2 iterations. iteration 296: trace = 2.393039826947258 (3.34975e-07% change) linmin: converged after 23 iterations. iteration 297: trace = 2.393039821890845 (2.11297e-07% change) linmin: converged after 3 iterations. iteration 298: trace = 2.393039819754568 (8.92704e-08% change) large trace change predicted (1.78855e-07%) linmin: converged after 2 iterations. iteration 299: trace = 2.393039815474498 (1.78855e-07% change) linmin: converged after 6 iterations. iteration 300: trace = 2.393039814588436 (3.70266e-08% change) large trace change predicted (1.68951e-07%) linmin: converged after 3 iterations. iteration 301: trace = 2.393039810545384 (1.6895e-07% change) linmin: converged after 4 iterations. iteration 302: trace = 2.393039808764906 (7.44023e-08% change) large trace change predicted (1.59874e-07%) linmin: converged after 4 iterations. iteration 303: trace = 2.393039804939095 (1.59872e-07% change) linmin: converged after 9 iterations. iteration 304: trace = 2.393039797307099 (3.18925e-07% change) linmin: converged after 16 iterations. iteration 305: trace = 2.393039794197577 (1.2994e-07% change) large trace change predicted (5.82893e-07%) linmin: converged after 18 iterations. iteration 306: trace = 2.393039780248832 (5.82888e-07% change) linmin: converged after 2 iterations. iteration 307: trace = 2.393039764786827 (6.46124e-07% change) linmin: converged after 4 iterations. iteration 308: trace = 2.393039750017864 (6.17163e-07% change) linmin: converged after 10 iterations. iteration 309: trace = 2.393039725756483 (1.01383e-06% change) linmin: converged after 22 iterations. iteration 310: trace = 2.393039718096837 (3.2008e-07% change) linmin: converged after 3 iterations. iteration 311: trace = 2.393039706517889 (4.83859e-07% change) linmin: converged after 2 iterations. iteration 312: trace = 2.393039699042665 (3.12374e-07% change) linmin: converged after 4 iterations. iteration 313: trace = 2.393039696594512 (1.02303e-07% change) large trace change predicted (2.13049e-07%) linmin: converged after 3 iterations. iteration 314: trace = 2.393039691496138 (2.1305e-07% change) linmin: converged after 4 iterations. iteration 315: trace = 2.393039689697536 (7.51597e-08% change) linmin: converged after 2 iterations. iteration 316: trace = 2.393039687681912 (8.42286e-08% change) linmin: converged after 2 iterations. iteration 317: trace = 2.39303968498274 (1.12793e-07% change) linmin: converged after 3 iterations. iteration 318: trace = 2.393039683739993 (5.19317e-08% change) linmin: converged after 4 iterations. iteration 319: trace = 2.393039681923726 (7.58979e-08% change) linmin: converged after 4 iterations. iteration 320: trace = 2.39303967940794 (1.05129e-07% change) linmin: converged after 3 iterations. iteration 321: trace = 2.393039677769733 (6.84572e-08% change) linmin: converged after 2 iterations. iteration 322: trace = 2.393039674736269 (1.26762e-07% change) linmin: converged after 3 iterations. iteration 323: trace = 2.393039673671995 (4.44737e-08% change) linmin: converged after 2 iterations. iteration 324: trace = 2.393039671689107 (8.28606e-08% change) linmin: converged after 2 iterations. iteration 325: trace = 2.393039669297133 (9.99555e-08% change) linmin: converged after 4 iterations. iteration 326: trace = 2.393039666406318 (1.20801e-07% change) large trace change predicted (5.24281e-07%) linmin: converged after 3 iterations. iteration 327: trace = 2.393039653860141 (5.24278e-07% change) linmin: converged after 3 iterations. iteration 328: trace = 2.3930396501451 (1.55244e-07% change) large trace change predicted (5.14658e-07%) linmin: converged after 6 iterations. iteration 329: trace = 2.393039637829149 (5.14657e-07% change) linmin: converged after 3 iterations. iteration 330: trace = 2.393039628784646 (3.7795e-07% change) linmin: converged after 3 iterations. iteration 331: trace = 2.393039624315906 (1.86739e-07% change) linmin: converged after 6 iterations. iteration 332: trace = 2.393039617113109 (3.00989e-07% change) linmin: converged after 3 iterations. iteration 333: trace = 2.393039613074678 (1.68757e-07% change) linmin: converged after 4 iterations. iteration 334: trace = 2.393039608390692 (1.95734e-07% change) linmin: converged after 2 iterations. iteration 335: trace = 2.393039604260139 (1.72607e-07% change) linmin: converged after 4 iterations. iteration 336: trace = 2.393039602837053 (5.94677e-08% change) linmin: converged after 2 iterations. iteration 337: trace = 2.393039600217194 (1.09478e-07% change) linmin: converged after 3 iterations. iteration 338: trace = 2.393039599260687 (3.99704e-08% change) linmin: converged after 6 iterations. iteration 339: trace = 2.393039597648655 (6.73634e-08% change) linmin: converged after 4 iterations. iteration 340: trace = 2.393039594774919 (1.20087e-07% change) linmin: converged after 6 iterations. iteration 341: trace = 2.393039593562678 (5.06569e-08% change) large trace change predicted (1.431e-07%) linmin: converged after 3 iterations. iteration 342: trace = 2.393039590138249 (1.431e-07% change) linmin: converged after 10 iterations. iteration 343: trace = 2.393039588886906 (5.2291e-08% change) large trace change predicted (2.05461e-07%) linmin: converged after 9 iterations. iteration 344: trace = 2.393039583970162 (2.0546e-07% change) linmin: converged after 3 iterations. iteration 345: trace = 2.39303958056545 (1.42276e-07% change) linmin: converged after 12 iterations. iteration 346: trace = 2.393039578776684 (7.47487e-08% change) large trace change predicted (3.7855e-07%) linmin: converged after 6 iterations. iteration 347: trace = 2.393039569717871 (3.78548e-07% change) linmin: converged after 3 iterations. iteration 348: trace = 2.393039561714139 (3.34459e-07% change) large trace change predicted (9.27901e-07%) linmin: converged after 9 iterations. iteration 349: trace = 2.393039539509207 (9.27897e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 350: trace = 2.393039530334008 (3.83412e-07% change) linmin: converged after 6 iterations. iteration 351: trace = 2.393039524007444 (2.64374e-07% change) linmin: converged after 4 iterations. iteration 352: trace = 2.393039518614078 (2.25377e-07% change) linmin: converged after 2 iterations. iteration 353: trace = 2.393039516682342 (8.07231e-08% change) linmin: converged after 31 iterations. iteration 354: trace = 2.393039515497306 (4.95201e-08% change) linmin: converged after 28 iterations. iteration 355: trace = 2.393039513467057 (8.48397e-08% change) linmin: converged after 3 iterations. iteration 356: trace = 2.393039512971261 (2.07183e-08% change) large trace change predicted (5.51477e-08%) linmin: converged after 26 iterations. iteration 357: trace = 2.393039511651555 (5.51477e-08% change) linmin: converged after 3 iterations. iteration 358: trace = 2.393039510858201 (3.31525e-08% change) linmin: converged after 3 iterations. iteration 359: trace = 2.393039510361972 (2.07364e-08% change) linmin: converged after 2 iterations. iteration 360: trace = 2.393039509532697 (3.46536e-08% change) linmin: converged after 19 iterations. iteration 361: trace = 2.39303950870204 (3.47114e-08% change) linmin: converged after 10 iterations. iteration 362: trace = 2.393039508083983 (2.58273e-08% change) linmin: converged after 2 iterations. iteration 363: trace = 2.393039507035475 (4.38149e-08% change) linmin: converged after 2 iterations. iteration 364: trace = 2.39303950644532 (2.46613e-08% change) large trace change predicted (7.14075e-08%) linmin: converged after 2 iterations. iteration 365: trace = 2.393039504736507 (7.14076e-08% change) linmin: converged after 10 iterations. iteration 366: trace = 2.393039504078556 (2.74944e-08% change) large trace change predicted (6.69719e-08%) linmin: converged after 2 iterations. iteration 367: trace = 2.393039502475891 (6.6972e-08% change) linmin: converged after 30 iterations. iteration 368: trace = 2.393039500282299 (9.16655e-08% change) linmin: converged after 4 iterations. iteration 369: trace = 2.393039498972043 (5.47528e-08% change) large trace change predicted (1.45165e-07%) linmin: converged after 2 iterations. iteration 370: trace = 2.393039495498195 (1.45165e-07% change) linmin: converged after 4 iterations. iteration 371: trace = 2.393039494758401 (3.09144e-08% change) large trace change predicted (1.01346e-07%) linmin: converged after 30 iterations. iteration 372: trace = 2.393039492333147 (1.01346e-07% change) linmin: converged after 4 iterations. iteration 373: trace = 2.393039491329326 (4.19475e-08% change) linmin: converged after 4 iterations. iteration 374: trace = 2.393039490730068 (2.50417e-08% change) linmin: converged after 23 iterations. iteration 375: trace = 2.393039489641627 (4.54837e-08% change) linmin: converged after 17 iterations. iteration 376: trace = 2.393039489380868 (1.08966e-08% change) large trace change predicted (2.79e-08%) linmin: converged after 18 iterations. iteration 377: trace = 2.393039488713208 (2.79001e-08% change) linmin: converged after 12 iterations. iteration 378: trace = 2.393039488473531 (1.00156e-08% change) large trace change predicted (2.1849e-08%) linmin: converged after 21 iterations. iteration 379: trace = 2.393039487950677 (2.1849e-08% change) linmin: converged after 2 iterations. iteration 380: trace = 2.393039487541194 (1.71114e-08% change) linmin: converged after 4 iterations. iteration 381: trace = 2.393039487209535 (1.38593e-08% change) large trace change predicted (2.79317e-08%) linmin: converged after 2 iterations. iteration 382: trace = 2.393039486541117 (2.79318e-08% change) linmin: converged after 4 iterations. iteration 383: trace = 2.393039486304621 (9.88267e-09% change) large trace change predicted (3.49113e-08%) linmin: converged after 3 iterations. iteration 384: trace = 2.39303948546918 (3.49113e-08% change) linmin: converged after 14 iterations. iteration 385: trace = 2.393039485103423 (1.52842e-08% change) linmin: converged after 2 iterations. iteration 386: trace = 2.393039484425752 (2.83184e-08% change) linmin: converged after 3 iterations. iteration 387: trace = 2.393039483733097 (2.89446e-08% change) linmin: converged after 3 iterations. iteration 388: trace = 2.393039483181924 (2.30324e-08% change) large trace change predicted (8.23067e-08%) linmin: converged after 4 iterations. iteration 389: trace = 2.393039481212295 (8.23066e-08% change) linmin: converged after 3 iterations. iteration 390: trace = 2.393039480078674 (4.73716e-08% change) large trace change predicted (1.55825e-07%) linmin: converged after 3 iterations. iteration 391: trace = 2.39303947634973 (1.55825e-07% change) linmin: converged after 4 iterations. iteration 392: trace = 2.393039474223412 (8.88543e-08% change) linmin: converged after 6 iterations. iteration 393: trace = 2.393039472437169 (7.46433e-08% change) linmin: converged after 24 iterations. iteration 394: trace = 2.393039471181656 (5.24652e-08% change) linmin: converged after 10 iterations. iteration 395: trace = 2.393039470786062 (1.6531e-08% change) large trace change predicted (3.57493e-08%) linmin: converged after 25 iterations. iteration 396: trace = 2.393039469930568 (3.57493e-08% change) linmin: converged after 4 iterations. iteration 397: trace = 2.393039469546422 (1.60527e-08% change) linmin: converged after 4 iterations. iteration 398: trace = 2.393039469046133 (2.0906e-08% change) linmin: converged after 19 iterations. iteration 399: trace = 2.393039468798518 (1.03473e-08% change) linmin: converged after 4 iterations. iteration 400: trace = 2.393039468478962 (1.33536e-08% change) linmin: converged after 3 iterations. iteration 401: trace = 2.393039468069249 (1.7121e-08% change) linmin: converged after 4 iterations. iteration 402: trace = 2.393039467854572 (8.9709e-09% change) large trace change predicted (5.10206e-08%) linmin: converged after 24 iterations. iteration 403: trace = 2.393039466633632 (5.10205e-08% change) linmin: converged after 4 iterations. iteration 404: trace = 2.3930394658094 (3.44429e-08% change) linmin: converged after 17 iterations. iteration 405: trace = 2.393039464623075 (4.9574e-08% change) linmin: converged after 4 iterations. iteration 406: trace = 2.393039462972266 (6.89838e-08% change) linmin: converged after 4 iterations. iteration 407: trace = 2.393039462314115 (2.75027e-08% change) large trace change predicted (6.32846e-08%) linmin: converged after 2 iterations. iteration 408: trace = 2.393039460799692 (6.32845e-08% change) linmin: converged after 2 iterations. iteration 409: trace = 2.393039459906495 (3.73248e-08% change) linmin: converged after 10 iterations. iteration 410: trace = 2.393039459215806 (2.88624e-08% change) linmin: converged after 3 iterations. iteration 411: trace = 2.393039458207819 (4.21216e-08% change) linmin: converged after 17 iterations. iteration 412: trace = 2.393039457948444 (1.08387e-08% change) large trace change predicted (3.21758e-08%) linmin: converged after 3 iterations. iteration 413: trace = 2.393039457178463 (3.21759e-08% change) linmin: converged after 3 iterations. iteration 414: trace = 2.393039456890699 (1.2025e-08% change) linmin: converged after 4 iterations. iteration 415: trace = 2.393039456468653 (1.76364e-08% change) linmin: converged after 2 iterations. iteration 416: trace = 2.393039455915877 (2.30993e-08% change) linmin: converged after 2 iterations. iteration 417: trace = 2.393039455793205 (5.12622e-09% change) large trace change predicted (2.19269e-08%) linmin: converged after 21 iterations. iteration 418: trace = 2.393039455268485 (2.19269e-08% change) linmin: converged after 27 iterations. iteration 419: trace = 2.393039455163028 (4.40686e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 420: trace = 2.393039455081534 (3.40544e-09% change) large trace change predicted (1.28231e-08%) linmin: converged after 2 iterations. iteration 421: trace = 2.393039454774672 (1.28231e-08% change) linmin: converged after 4 iterations. iteration 422: trace = 2.393039454618046 (6.54506e-09% change) large trace change predicted (1.46806e-08%) linmin: converged after 3 iterations. iteration 423: trace = 2.393039454266736 (1.46805e-08% change) linmin: converged after 4 iterations. iteration 424: trace = 2.393039453848227 (1.74886e-08% change) linmin: converged after 27 iterations. iteration 425: trace = 2.393039453604065 (1.0203e-08% change) large trace change predicted (2.14839e-08%) linmin: converged after 2 iterations. iteration 426: trace = 2.393039453089949 (2.14838e-08% change) linmin: converged after 4 iterations. iteration 427: trace = 2.393039452823184 (1.11475e-08% change) linmin: converged after 2 iterations. iteration 428: trace = 2.39303945231017 (2.14378e-08% change) linmin: converged after 3 iterations. iteration 429: trace = 2.393039451925552 (1.60724e-08% change) linmin: converged after 23 iterations. iteration 430: trace = 2.393039451541071 (1.60666e-08% change) linmin: converged after 3 iterations. iteration 431: trace = 2.39303945081216 (3.04596e-08% change) linmin: converged after 4 iterations. iteration 432: trace = 2.393039450415854 (1.65608e-08% change) linmin: converged after 2 iterations. iteration 433: trace = 2.393039449685276 (3.05293e-08% change) linmin: converged after 3 iterations. iteration 434: trace = 2.39303944944451 (1.00611e-08% change) large trace change predicted (2.67535e-08%) linmin: converged after 4 iterations. iteration 435: trace = 2.393039448804291 (2.67534e-08% change) linmin: converged after 2 iterations. iteration 436: trace = 2.393039448613129 (7.98826e-09% change) large trace change predicted (2.03646e-08%) linmin: converged after 2 iterations. iteration 437: trace = 2.393039448125796 (2.03646e-08% change) linmin: converged after 3 iterations. iteration 438: trace = 2.393039448053937 (3.00285e-09% change) large trace change predicted (9.93031e-09%) linmin: converged after 2 iterations. iteration 439: trace = 2.393039447816299 (9.93036e-09% change) linmin: converged after 3 iterations. iteration 440: trace = 2.393039447748134 (2.84845e-09% change) linmin: converged after 3 iterations. iteration 441: trace = 2.393039447623873 (5.19264e-09% change) linmin: converged after 3 iterations. iteration 442: trace = 2.393039447561049 (2.62526e-09% change) large trace change predicted (6.60229e-09%) linmin: converged after 2 iterations. iteration 443: trace = 2.393039447403053 (6.60231e-09% change) linmin: converged after 2 iterations. iteration 444: trace = 2.39303944732493 (3.26461e-09% change) large trace change predicted (1.01264e-08%) linmin: converged after 10 iterations. iteration 445: trace = 2.393039447082602 (1.01264e-08% change) linmin: converged after 3 iterations. iteration 446: trace = 2.393039446943546 (5.81083e-09% change) large trace change predicted (1.73585e-08%) linmin: converged after 3 iterations. iteration 447: trace = 2.393039446528151 (1.73585e-08% change) linmin: converged after 8 iterations. iteration 448: trace = 2.393039446015525 (2.14215e-08% change) linmin: converged after 2 iterations. iteration 449: trace = 2.393039445571531 (1.85536e-08% change) linmin: converged after 4 iterations. iteration 450: trace = 2.393039444758272 (3.39843e-08% change) linmin: converged after 29 iterations. iteration 451: trace = 2.393039444416251 (1.42923e-08% change) linmin: converged after 3 iterations. iteration 452: trace = 2.393039443980618 (1.82042e-08% change) linmin: converged after 4 iterations. iteration 453: trace = 2.393039443780794 (8.35021e-09% change) linmin: converged after 2 iterations. iteration 454: trace = 2.393039443549136 (9.6805e-09% change) linmin: converged after 25 iterations. iteration 455: trace = 2.393039443436664 (4.69994e-09% change) linmin: converged after 4 iterations. iteration 456: trace = 2.393039443270879 (6.92783e-09% change) linmin: converged after 6 iterations. iteration 457: trace = 2.393039443188931 (3.4244e-09% change) linmin: converged after 3 iterations. iteration 458: trace = 2.393039443044277 (6.0448e-09% change) linmin: converged after 3 iterations. iteration 459: trace = 2.39303944298991 (2.27189e-09% change) large trace change predicted (8.28366e-09%) linmin: converged after 2 iterations. iteration 460: trace = 2.393039442791682 (8.28349e-09% change) linmin: converged after 14 iterations. iteration 461: trace = 2.393039442749653 (1.7563e-09% change) large trace change predicted (5.97115e-09%) linmin: converged after 3 iterations. iteration 462: trace = 2.393039442606761 (5.97117e-09% change) linmin: converged after 25 iterations. iteration 463: trace = 2.39303944256638 (1.68742e-09% change) large trace change predicted (4.09607e-09%) linmin: converged after 2 iterations. iteration 464: trace = 2.393039442468357 (4.09619e-09% change) linmin: converged after 8 iterations. iteration 465: trace = 2.393039442419999 (2.02077e-09% change) linmin: converged after 15 iterations. iteration 466: trace = 2.393039442347808 (3.01671e-09% change) linmin: converged after 4 iterations. iteration 467: trace = 2.393039442273152 (3.11971e-09% change) linmin: converged after 20 iterations. iteration 468: trace = 2.393039442142555 (5.45738e-09% change) linmin: converged after 3 iterations. iteration 469: trace = 2.393039442076984 (2.74006e-09% change) large trace change predicted (1.16409e-08%) linmin: converged after 2 iterations. iteration 470: trace = 2.393039441798411 (1.1641e-08% change) linmin: converged after 16 iterations. iteration 471: trace = 2.393039441675736 (5.1263e-09% change) large trace change predicted (1.43582e-08%) linmin: converged after 8 iterations. iteration 472: trace = 2.39303944133214 (1.43582e-08% change) linmin: converged after 4 iterations. iteration 473: trace = 2.393039441097609 (9.80053e-09% change) linmin: converged after 3 iterations. iteration 474: trace = 2.393039440722298 (1.56835e-08% change) linmin: converged after 4 iterations. iteration 475: trace = 2.393039440436632 (1.19374e-08% change) linmin: converged after 3 iterations. iteration 476: trace = 2.393039440165509 (1.13296e-08% change) linmin: converged after 19 iterations. iteration 477: trace = 2.393039439929586 (9.85873e-09% change) linmin: converged after 20 iterations. iteration 478: trace = 2.393039439818141 (4.65701e-09% change) large trace change predicted (9.52447e-09%) linmin: converged after 3 iterations. iteration 479: trace = 2.393039439590219 (9.52438e-09% change) linmin: converged after 6 iterations. iteration 480: trace = 2.393039439529571 (2.53435e-09% change) linmin: converged after 4 iterations. iteration 481: trace = 2.393039439425098 (4.36574e-09% change) linmin: converged after 4 iterations. iteration 482: trace = 2.393039439369573 (2.32027e-09% change) linmin: converged after 6 iterations. iteration 483: trace = 2.393039439287506 (3.4294e-09% change) linmin: converged after 3 iterations. iteration 484: trace = 2.393039439238953 (2.02893e-09% change) linmin: converged after 3 iterations. iteration 485: trace = 2.393039439143538 (3.98716e-09% change) linmin: converged after 5 iterations. iteration 486: trace = 2.393039439105284 (1.59855e-09% change) large trace change predicted (4.7465e-09%) linmin: converged after 3 iterations. iteration 487: trace = 2.393039438991697 (4.74657e-09% change) linmin: converged after 3 iterations. iteration 488: trace = 2.393039438928778 (2.62927e-09% change) linmin: converged after 3 iterations. iteration 489: trace = 2.393039438831347 (4.07143e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 490: trace = 2.393039438770665 (2.53574e-09% change) linmin: converged after 2 iterations. iteration 491: trace = 2.393039438727107 (1.82022e-09% change) linmin: converged after 12 iterations. iteration 492: trace = 2.393039438645211 (3.42227e-09% change) linmin: converged after 4 iterations. iteration 493: trace = 2.393039438608041 (1.55325e-09% change) large trace change predicted (4.01501e-09%) linmin: converged after 2 iterations. iteration 494: trace = 2.39303943851196 (4.015e-09% change) linmin: converged after 4 iterations. iteration 495: trace = 2.393039438391947 (5.0151e-09% change) linmin: converged after 8 iterations. iteration 496: trace = 2.393039438354112 (1.58105e-09% change) large trace change predicted (5.35413e-09%) linmin: converged after 3 iterations. iteration 497: trace = 2.393039438225987 (5.35409e-09% change) linmin: converged after 15 iterations. iteration 498: trace = 2.393039438141694 (3.52239e-09% change) linmin: converged after 13 iterations. iteration 499: trace = 2.393039438094008 (1.99271e-09% change) large trace change predicted (4.68971e-09%) linmin: converged after 4 iterations. iteration 500: trace = 2.393039437981779 (4.68981e-09% change) linmin: converged after 19 iterations. iteration 501: trace = 2.393039437940803 (1.7123e-09% change) large trace change predicted (8.68295e-09%) linmin: converged after 4 iterations. iteration 502: trace = 2.393039437733017 (8.68294e-09% change) linmin: converged after 18 iterations. iteration 503: trace = 2.393039437666702 (2.77116e-09% change) large trace change predicted (1.17784e-08%) linmin: converged after 4 iterations. iteration 504: trace = 2.393039437384841 (1.17784e-08% change) linmin: converged after 4 iterations. iteration 505: trace = 2.393039437295321 (3.74083e-09% change) large trace change predicted (1.00383e-08%) linmin: converged after 2 iterations. iteration 506: trace = 2.3930394370551 (1.00383e-08% change) linmin: converged after 21 iterations. iteration 507: trace = 2.393039436967758 (3.6498e-09% change) linmin: converged after 4 iterations. iteration 508: trace = 2.393039436834583 (5.56511e-09% change) linmin: converged after 3 iterations. iteration 509: trace = 2.393039436771053 (2.6548e-09% change) linmin: converged after 12 iterations. iteration 510: trace = 2.393039436692701 (3.27416e-09% change) linmin: converged after 3 iterations. iteration 511: trace = 2.393039436663756 (1.20954e-09% change) linmin: converged after 6 iterations. iteration 512: trace = 2.393039436628705 (1.46471e-09% change) linmin: converged after 4 iterations. iteration 513: trace = 2.393039436596319 (1.35331e-09% change) linmin: converged after 8 iterations. iteration 514: trace = 2.393039436574894 (8.95308e-10% change) large trace change predicted (2.31083e-09%) linmin: converged after 8 iterations. iteration 515: trace = 2.393039436519594 (2.31088e-09% change) linmin: converged after 3 iterations. iteration 516: trace = 2.39303943649859 (8.77734e-10% change) large trace change predicted (3.82906e-09%) linmin: converged after 3 iterations. iteration 517: trace = 2.39303943640696 (3.82901e-09% change) linmin: converged after 2 iterations. iteration 518: trace = 2.39303943636861 (1.60255e-09% change) linmin: converged after 11 iterations. iteration 519: trace = 2.393039436322549 (1.92481e-09% change) linmin: converged after 2 iterations. iteration 520: trace = 2.393039436271038 (2.15251e-09% change) linmin: converged after 3 iterations. iteration 521: trace = 2.393039436244692 (1.10094e-09% change) large trace change predicted (3.17061e-09%) linmin: converged after 3 iterations. iteration 522: trace = 2.393039436168818 (3.17061e-09% change) linmin: converged after 4 iterations. iteration 523: trace = 2.393039436097631 (2.97477e-09% change) linmin: converged after 4 iterations. iteration 524: trace = 2.393039435995211 (4.27989e-09% change) linmin: converged after 4 iterations. iteration 525: trace = 2.393039435818145 (7.39921e-09% change) linmin: converged after 3 iterations. iteration 526: trace = 2.393039435723086 (3.97233e-09% change) linmin: converged after 19 iterations. iteration 527: trace = 2.393039435536705 (7.78847e-09% change) linmin: converged after 6 iterations. iteration 528: trace = 2.393039435449276 (3.65346e-09% change) linmin: converged after 6 iterations. iteration 529: trace = 2.393039435338912 (4.61188e-09% change) linmin: converged after 2 iterations. iteration 530: trace = 2.393039435244189 (3.95829e-09% change) linmin: converged after 4 iterations. iteration 531: trace = 2.393039435199449 (1.86956e-09% change) linmin: converged after 2 iterations. iteration 532: trace = 2.393039435130634 (2.87564e-09% change) linmin: converged after 14 iterations. iteration 533: trace = 2.393039435113299 (7.24394e-10% change) linmin: converged after 3 iterations. iteration 534: trace = 2.393039435083929 (1.22732e-09% change) linmin: converged after 3 iterations. iteration 535: trace = 2.393039435061976 (9.17355e-10% change) linmin: converged after 3 iterations. iteration 536: trace = 2.393039435043413 (7.75705e-10% change) large trace change predicted (2.37715e-09%) linmin: converged after 3 iterations. iteration 537: trace = 2.393039434986528 (2.37709e-09% change) linmin: converged after 5 iterations. iteration 538: trace = 2.393039434959441 (1.13194e-09% change) large trace change predicted (4.77728e-09%) linmin: converged after 4 iterations. iteration 539: trace = 2.393039434845119 (4.77725e-09% change) linmin: converged after 3 iterations. iteration 540: trace = 2.393039434792144 (2.21371e-09% change) large trace change predicted (4.44573e-09%) linmin: converged after 4 iterations. iteration 541: trace = 2.393039434685755 (4.44579e-09% change) linmin: converged after 4 iterations. iteration 542: trace = 2.393039434547814 (5.76427e-09% change) linmin: converged after 27 iterations. iteration 543: trace = 2.393039434463725 (3.51387e-09% change) linmin: converged after 2 iterations. iteration 544: trace = 2.393039434327819 (5.67926e-09% change) linmin: converged after 2 iterations. iteration 545: trace = 2.393039434297494 (1.26718e-09% change) large trace change predicted (4.76578e-09%) linmin: converged after 2 iterations. iteration 546: trace = 2.393039434183446 (4.76584e-09% change) linmin: converged after 4 iterations. iteration 547: trace = 2.393039434155507 (1.16753e-09% change) linmin: converged after 3 iterations. iteration 548: trace = 2.393039434110598 (1.87663e-09% change) linmin: converged after 3 iterations. iteration 549: trace = 2.39303943405266 (2.42111e-09% change) linmin: converged after 7 iterations. iteration 550: trace = 2.393039434021908 (1.28505e-09% change) large trace change predicted (2.72009e-09%) linmin: converged after 3 iterations. iteration 551: trace = 2.393039433956814 (2.72016e-09% change) linmin: converged after 13 iterations. iteration 552: trace = 2.39303943394262 (5.93117e-10% change) large trace change predicted (1.4614e-09%) linmin: converged after 6 iterations. iteration 553: trace = 2.39303943390765 (1.46133e-09% change) linmin: converged after 4 iterations. iteration 554: trace = 2.393039433887136 (8.57228e-10% change) linmin: converged after 4 iterations. iteration 555: trace = 2.393039433871071 (6.71338e-10% change) large trace change predicted (2.49889e-09%) linmin: converged after 15 iterations. iteration 556: trace = 2.393039433811273 (2.49881e-09% change) linmin: converged after 5 iterations. iteration 557: trace = 2.39303943377127 (1.67163e-09% change) large trace change predicted (3.87363e-09%) linmin: converged after 3 iterations. iteration 558: trace = 2.393039433678571 (3.87372e-09% change) linmin: converged after 12 iterations. iteration 559: trace = 2.393039433633079 (1.90102e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 560: trace = 2.393039433591982 (1.71733e-09% change) linmin: converged after 4 iterations. iteration 561: trace = 2.393039433535898 (2.34363e-09% change) linmin: converged after 10 iterations. iteration 562: trace = 2.393039433476222 (2.49374e-09% change) linmin: converged after 3 iterations. iteration 563: trace = 2.393039433456065 (8.42308e-10% change) linmin: converged after 4 iterations. iteration 564: trace = 2.393039433422571 (1.39967e-09% change) linmin: converged after 2 iterations. iteration 565: trace = 2.393039433403372 (8.02261e-10% change) linmin: converged after 20 iterations. iteration 566: trace = 2.393039433378293 (1.048e-09% change) linmin: converged after 4 iterations. iteration 567: trace = 2.393039433347348 (1.29313e-09% change) linmin: converged after 3 iterations. iteration 568: trace = 2.39303943333379 (5.66562e-10% change) large trace change predicted (1.65308e-09%) linmin: converged after 3 iterations. iteration 569: trace = 2.393039433294231 (1.65311e-09% change) linmin: converged after 2 iterations. iteration 570: trace = 2.393039433267218 (1.1288e-09% change) linmin: converged after 4 iterations. iteration 571: trace = 2.393039433251191 (6.69723e-10% change) large trace change predicted (2.59613e-09%) linmin: converged after 6 iterations. iteration 572: trace = 2.393039433189065 (2.59613e-09% change) linmin: converged after 10 iterations. iteration 573: trace = 2.393039433169208 (8.29763e-10% change) large trace change predicted (3.32246e-09%) linmin: converged after 11 iterations. iteration 574: trace = 2.3930394330897 (3.32247e-09% change) linmin: converged after 11 iterations. iteration 575: trace = 2.393039433039307 (2.10582e-09% change) linmin: converged after 3 iterations. iteration 576: trace = 2.393039433008009 (1.30788e-09% change) linmin: converged after 3 iterations. iteration 577: trace = 2.393039432966736 (1.72474e-09% change) linmin: converged after 2 iterations. iteration 578: trace = 2.393039432937859 (1.2067e-09% change) large trace change predicted (2.95829e-09%) linmin: converged after 2 iterations. iteration 579: trace = 2.393039432867064 (2.95837e-09% change) linmin: converged after 3 iterations. iteration 580: trace = 2.393039432836827 (1.26355e-09% change) linmin: converged after 2 iterations. iteration 581: trace = 2.393039432817371 (8.13006e-10% change) linmin: converged after 6 iterations. iteration 582: trace = 2.393039432800204 (7.1736e-10% change) linmin: converged after 13 iterations. iteration 583: trace = 2.393039432793716 (2.71126e-10% change) large trace change predicted (5.44685e-10%) linmin: converged after 2 iterations. iteration 584: trace = 2.393039432780685 (5.44571e-10% change) linmin: converged after 9 iterations. iteration 585: trace = 2.393039432773195 (3.12973e-10% change) linmin: converged after 3 iterations. iteration 586: trace = 2.393039432762138 (4.62064e-10% change) linmin: converged after 2 iterations. iteration 587: trace = 2.393039432742628 (8.15251e-10% change) linmin: converged after 2 iterations. iteration 588: trace = 2.393039432734777 (3.28097e-10% change) large trace change predicted (1.41391e-09%) linmin: converged after 6 iterations. iteration 589: trace = 2.393039432700941 (1.41392e-09% change) linmin: converged after 4 iterations. iteration 590: trace = 2.393039432674914 (1.08764e-09% change) linmin: converged after 4 iterations. iteration 591: trace = 2.39303943265161 (9.73788e-10% change) linmin: converged after 4 iterations. iteration 592: trace = 2.393039432614045 (1.5698e-09% change) linmin: converged after 4 iterations. iteration 593: trace = 2.393039432599276 (6.17131e-10% change) large trace change predicted (1.75499e-09%) linmin: converged after 9 iterations. iteration 594: trace = 2.393039432557276 (1.75512e-09% change) linmin: converged after 6 iterations. iteration 595: trace = 2.393039432545948 (4.73366e-10% change) large trace change predicted (1.15899e-09%) linmin: converged after 5 iterations. iteration 596: trace = 2.39303943251821 (1.15912e-09% change) linmin: converged after 2 iterations. iteration 597: trace = 2.393039432491335 (1.12303e-09% change) linmin: converged after 4 iterations. iteration 598: trace = 2.393039432480397 (4.57091e-10% change) large trace change predicted (1.52391e-09%) linmin: converged after 3 iterations. iteration 599: trace = 2.393039432443929 (1.52389e-09% change) linmin: converged after 13 iterations. iteration 600: trace = 2.393039432430085 (5.7855e-10% change) linmin: converged after 4 iterations. iteration 601: trace = 2.393039432414344 (6.57753e-10% change) linmin: converged after 3 iterations. iteration 602: trace = 2.393039432405177 (3.83065e-10% change) linmin: converged after 7 iterations. iteration 603: trace = 2.393039432401144 (1.6854e-10% change) linmin: converged after 10 iterations. iteration 604: trace = 2.393039432394298 (2.86083e-10% change) linmin: converged after 11 iterations. iteration 605: trace = 2.393039432388366 (2.47892e-10% change) linmin: converged after 2 iterations. iteration 606: trace = 2.393039432383648 (1.97155e-10% change) large trace change predicted (4.78428e-10%) linmin: converged after 6 iterations. iteration 607: trace = 2.393039432372197 (4.78525e-10% change) linmin: converged after 3 iterations. iteration 608: trace = 2.39303943236669 (2.30095e-10% change) large trace change predicted (5.68749e-10%) linmin: converged after 9 iterations. iteration 609: trace = 2.393039432353077 (5.68881e-10% change) large trace change predicted (1.18412e-09%) linmin: converged after 3 iterations. iteration 610: trace = 2.393039432324741 (1.18408e-09% change) linmin: converged after 4 iterations. iteration 611: trace = 2.393039432312935 (4.93371e-10% change) large trace change predicted (1.76798e-09%) linmin: converged after 4 iterations. iteration 612: trace = 2.393039432270628 (1.76792e-09% change) linmin: converged after 5 iterations. iteration 613: trace = 2.393039432244956 (1.07276e-09% change) linmin: converged after 2 iterations. iteration 614: trace = 2.393039432203985 (1.7121e-09% change) linmin: converged after 3 iterations. iteration 615: trace = 2.39303943218117 (9.53375e-10% change) linmin: converged after 3 iterations. iteration 616: trace = 2.393039432169938 (4.69376e-10% change) linmin: converged after 3 iterations. iteration 617: trace = 2.393039432158995 (4.57276e-10% change) linmin: converged after 10 iterations. iteration 618: trace = 2.393039432154797 (1.75443e-10% change) linmin: converged after 5 iterations. iteration 619: trace = 2.393039432148036 (2.8252e-10% change) linmin: converged after 4 iterations. iteration 620: trace = 2.393039432136146 (4.96841e-10% change) linmin: converged after 4 iterations. iteration 621: trace = 2.39303943213301 (1.31053e-10% change) large trace change predicted (5.35513e-10%) linmin: converged after 3 iterations. iteration 622: trace = 2.393039432120193 (5.35589e-10% change) linmin: converged after 4 iterations. iteration 623: trace = 2.393039432113679 (2.72239e-10% change) linmin: converged after 8 iterations. iteration 624: trace = 2.393039432106066 (3.18095e-10% change) linmin: converged after 5 iterations. iteration 625: trace = 2.393039432098135 (3.31456e-10% change) linmin: converged after 11 iterations. iteration 626: trace = 2.393039432094206 (1.6416e-10% change) large trace change predicted (1.14851e-09%) linmin: converged after 2 iterations. iteration 627: trace = 2.393039432066721 (1.14856e-09% change) linmin: converged after 4 iterations. iteration 628: trace = 2.393039432054615 (5.0586e-10% change) large trace change predicted (1.49987e-09%) linmin: converged after 2 iterations. iteration 629: trace = 2.393039432018724 (1.49982e-09% change) resetting CG direction... linmin: converged after 3 iterations. iteration 630: trace = 2.393039431999159 (8.17552e-10% change) linmin: converged after 4 iterations. iteration 631: trace = 2.393039431990648 (3.55692e-10% change) large trace change predicted (9.79319e-10%) linmin: converged after 4 iterations. iteration 632: trace = 2.393039431967213 (9.79281e-10% change) linmin: converged after 4 iterations. iteration 633: trace = 2.393039431960509 (2.80126e-10% change) linmin: converged after 3 iterations. iteration 634: trace = 2.393039431950895 (4.01752e-10% change) linmin: converged after 3 iterations. iteration 635: trace = 2.393039431943192 (3.21918e-10% change) linmin: converged after 3 iterations. iteration 636: trace = 2.393039431940059 (1.30923e-10% change) large trace change predicted (2.92515e-10%) linmin: converged after 3 iterations. iteration 637: trace = 2.39303943193306 (2.92448e-10% change) linmin: converged after 6 iterations. iteration 638: trace = 2.393039431927997 (2.11574e-10% change) linmin: converged after 6 iterations. iteration 639: trace = 2.39303943192271 (2.20927e-10% change) linmin: converged after 4 iterations. iteration 640: trace = 2.393039431914639 (3.37283e-10% change) linmin: converged after 4 iterations. iteration 641: trace = 2.393039431913088 (6.48029e-11% change) Finished solving for bands 2 to 10 after 641 iterations. tmfreqs:, 10, 0, 0, 0, 0, 0, 0.265885, 0.356852, 0.36899, 0.503897, 0.506552, 0.539911, 0.635681, 0.645852, 0.660016 .elapsed time for k point: 12.967268943786621 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2156485263339956 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.2658849785678317 at Vector3<0.0, 0.0, 0.0> to 0.3546302405484167 at Vector3<0.33333333333333337, 0.33333333333333337, 0.0> Band 3 range: 0.35621423559129134 at Vector3<0.16666666666666669, 0.16666666666666669, 0.0> to 0.36527833517839886 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.36899013666801306 at Vector3<0.0, 0.0, 0.0> to 0.48074846784433395 at Vector3<0.5, 0.5, 0.0> Band 5 range: 0.4779014824358745 at Vector3<0.5, 0.0, 0.0> to 0.5073352894296067 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.5065518587497806 at Vector3<0.0, 0.0, 0.0> to 0.5125343692392687 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.5090758744004433 at Vector3<0.5, 0.0, 0.0> to 0.6079200818300042 at Vector3<0.5, 0.5, 0.0> Band 8 range: 0.6150518764785363 at Vector3<0.5, 0.3333333333333333, 0.0> to 0.63568078470799 at Vector3<0.0, 0.0, 0.0> Band 9 range: 0.6397097609337264 at Vector3<0.5, 0.0, 0.0> to 0.6489078359746278 at Vector3<0.5, 0.5, 0.0> Band 10 range: 0.6468898907439936 at Vector3<0.5, 0.0, 0.0> to 0.6600163340857906 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2156485263339956) to band 2 (0.2658849785678317), 20.86519493345664% Gap from band 2 (0.3546302405484167) to band 3 (0.35621423559129134), 0.4456657105859925% Gap from band 3 (0.36527833517839886) to band 4 (0.36899013666801306), 1.0110202553789074% Gap from band 7 (0.6079200818300042) to band 8 (0.6150518764785363), 1.1663055068565722% Gap from band 8 (0.63568078470799) to band 9 (0.6397097609337264), 0.6318027430114279% total elapsed time for run: 173.55779361724854 done /tmp/meepakjAzV/test_hermitian_eps-0: 173.56s /tmp/meepakjAzV/test_hole_slab-0 ======================== Initializing eigensolver data Computing 9 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 64. Solving for 9 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 4) Cell volume = 3.4641 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 0.25) Geometric objects: block, center = (0,0,1) size (1e+20,1e+20,2) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,1e+20,0.5) axes (1,0,0), (0,1,0), (0,0,1) cylinder, center = (0,0,0) radius 0.3, height 4, axis (0, 0, 1) Geometric object tree has depth 3 and 41 object nodes (vs. 3 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> elapsed time for initialization: 0.32189130783081055 solve_kpoint (-0.333333,0.333333,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6, zeven band 7, zeven band 8, zeven band 9 Solving for bands 1 to 9... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 20.14068801126488 (196.16% change) linmin: converged after 13 iterations. iteration 2: trace = 3.299137341812085 (143.7% change) linmin: converged after 5 iterations. iteration 3: trace = 2.669410204363155 (21.1015% change) linmin: converged after 6 iterations. iteration 4: trace = 2.40241249385957 (10.5287% change) linmin: converged after 5 iterations. iteration 5: trace = 2.282088343951399 (5.13712% change) linmin: converged after 5 iterations. iteration 6: trace = 2.228076475135598 (2.39512% change) linmin: converged after 7 iterations. iteration 7: trace = 2.207088432445513 (0.946438% change) linmin: converged after 4 iterations. iteration 8: trace = 2.197424295920371 (0.438829% change) linmin: converged after 4 iterations. iteration 9: trace = 2.193156579988943 (0.194403% change) linmin: converged after 5 iterations. iteration 10: trace = 2.19061263941641 (0.116062% change) linmin: converged after 5 iterations. iteration 11: trace = 2.189324950475648 (0.0587994% change) linmin: converged after 4 iterations. iteration 12: trace = 2.188582973206251 (0.0338964% change) linmin: converged after 4 iterations. iteration 13: trace = 2.188220751661914 (0.0165519% change) linmin: converged after 4 iterations. iteration 14: trace = 2.188067093603424 (0.0070223% change) linmin: converged after 4 iterations. iteration 15: trace = 2.188000083848798 (0.00306256% change) linmin: converged after 4 iterations. iteration 16: trace = 2.187974779563759 (0.00115651% change) linmin: converged after 4 iterations. iteration 17: trace = 2.187966030722257 (0.000399861% change) linmin: converged after 4 iterations. iteration 18: trace = 2.187961616111335 (0.000201768% change) linmin: converged after 5 iterations. iteration 19: trace = 2.187959777341824 (8.40403e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 2.187958886064244 (4.07356e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 2.187958549134365 (1.53993e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 2.187958302488668 (1.12729e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 2.187958133390967 (7.72856e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 2.187958074545629 (2.68951e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 2.187958069786985 (2.17492e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 2.187958069734506 (2.39855e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 2.187958069720248 (6.51655e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 2.187958069713324 (3.1647e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.18795806970928 (1.84804e-10% change) linmin: converged after 14 iterations. iteration 30: trace = 2.187958069706368 (1.33087e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 2.187958069704355 (9.20265e-11% change) Finished solving for bands 1 to 9 after 31 iterations. zevenfreqs:, 1, -0.333333, 0.333333, 0, 0.666667, 0.265718, 0.356033, 0.35608, 0.513443, 0.529044, 0.529286, 0.586884, 0.587044, 0.59253 elapsed time for k point: 49.35407519340515 total elapsed time for run: 49.67607045173645 done Fixing h-field (band 9) phase by 0.0246538 + 0.999696i; max ampl. = 2.37913 FOutputting fields to /tmp/meepakjAzV/test_hole_slab-0-h.k01.b09.z.zeven.h5... eigensolver iterations for 1 kpoints: 31.0-31.0, mean = 31.0, median = 31.0 mean flops per iteration = 232048195.5483871 mean time per iteration = 1.6024538855398855 s /tmp/meepakjAzV/test_hole_slab-0: 49.76s /tmp/meepakjAzV/test_honey_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015604496002197266 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 14.08603322828974 (195.946% change) linmin: converged after 8 iterations. iteration 2: trace = 4.946841082550758 (96.0359% change) linmin: converged after 6 iterations. iteration 3: trace = 4.482417469982445 (9.85069% change) linmin: converged after 5 iterations. iteration 4: trace = 4.426179454909694 (1.26256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.404732774789124 (0.485718% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393592673653451 (0.253232% change) linmin: converged after 5 iterations. iteration 7: trace = 4.388048069558351 (0.126277% change) linmin: converged after 5 iterations. iteration 8: trace = 4.386014285277234 (0.046359% change) linmin: converged after 4 iterations. iteration 9: trace = 4.385327350069832 (0.0156632% change) linmin: converged after 4 iterations. iteration 10: trace = 4.385030799696019 (0.00676256% change) linmin: converged after 9 iterations. iteration 11: trace = 4.384928986166413 (0.00232187% change) linmin: converged after 3 iterations. iteration 12: trace = 4.384903198779061 (0.000588093% change) linmin: converged after 5 iterations. iteration 13: trace = 4.384897579818996 (0.000128143% change) linmin: converged after 3 iterations. iteration 14: trace = 4.384896578810423 (2.28286e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.384896296355217 (6.44155e-06% change) linmin: converged after 17 iterations. iteration 16: trace = 4.384896163448913 (3.031e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.384896108996883 (1.24181e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.384896055181308 (1.22729e-06% change) linmin: converged after 9 iterations. iteration 19: trace = 4.384895970966356 (1.92057e-06% change) linmin: converged after 7 iterations. iteration 20: trace = 4.384895907261345 (1.45283e-06% change) large trace change predicted (4.57064e-06%) linmin: converged after 6 iterations. iteration 21: trace = 4.3848957068431 (4.57065e-06% change) large trace change predicted (5.41039e-05%) linmin: converged after 4 iterations. iteration 22: trace = 4.384893338182164 (5.40187e-05% change) large trace change predicted (0.000283054%) linmin: converged after 9 iterations. iteration 23: trace = 4.384881228353985 (0.000276172% change) linmin: converged after 9 iterations. iteration 24: trace = 4.384874398294823 (0.000155764% change) linmin: converged after 6 iterations. iteration 25: trace = 4.384872500513711 (4.32802e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.384871395471816 (2.52012e-05% change) linmin: converged after 9 iterations. iteration 27: trace = 4.384870693946444 (1.59988e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.384870461991072 (5.2899e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 4.384870388776773 (1.6697e-06% change) linmin: converged after 8 iterations. iteration 30: trace = 4.384870368925833 (4.52714e-07% change) linmin: converged after 10 iterations. iteration 31: trace = 4.384870362403318 (1.4875e-07% change) linmin: converged after 6 iterations. iteration 32: trace = 4.384870359727655 (6.10204e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 4.384870359219449 (1.159e-08% change) linmin: converged after 18 iterations. iteration 34: trace = 4.384870359145734 (1.68113e-09% change) linmin: converged after 4 iterations. iteration 35: trace = 4.384870359129951 (3.59941e-10% change) linmin: converged after 3 iterations. iteration 36: trace = 4.384870359120915 (2.0608e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 4.38487035911561 (1.20966e-10% change) linmin: converged after 6 iterations. iteration 38: trace = 4.384870359114471 (2.59878e-11% change) Finished solving for bands 2 to 8 after 38 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.20758676528930664 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.398721940930018 (0.785796% change) linmin: converged after 4 iterations. iteration 2: trace = 4.393117316903974 (0.127496% change) linmin: converged after 5 iterations. iteration 3: trace = 4.389343308629444 (0.0859442% change) linmin: converged after 3 iterations. iteration 4: trace = 4.386788236161571 (0.0582278% change) linmin: converged after 5 iterations. iteration 5: trace = 4.383878568871475 (0.06635% change) large trace change predicted (0.244095%) linmin: converged after 5 iterations. iteration 6: trace = 4.374047466163459 (0.224508% change) linmin: converged after 8 iterations. iteration 7: trace = 4.368118485130831 (0.135641% change) linmin: converged after 7 iterations. iteration 8: trace = 4.366002618092194 (0.0484506% change) linmin: converged after 4 iterations. iteration 9: trace = 4.36474279607383 (0.0288594% change) linmin: converged after 4 iterations. iteration 10: trace = 4.364161250576655 (0.0133246% change) linmin: converged after 3 iterations. iteration 11: trace = 4.363987460053582 (0.0039823% change) linmin: converged after 4 iterations. iteration 12: trace = 4.363951770436642 (0.000817825% change) linmin: converged after 8 iterations. iteration 13: trace = 4.363938583509695 (0.000302179% change) linmin: converged after 8 iterations. iteration 14: trace = 4.363930081725975 (0.000194819% change) linmin: converged after 4 iterations. iteration 15: trace = 4.363920378371304 (0.000222354% change) linmin: converged after 5 iterations. iteration 16: trace = 4.363910621596412 (0.000223578% change) linmin: converged after 6 iterations. iteration 17: trace = 4.363903924428309 (0.000153467% change) linmin: converged after 5 iterations. iteration 18: trace = 4.363900915380417 (6.89531e-05% change) linmin: converged after 4 iterations. iteration 19: trace = 4.363900331095293 (1.33891e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 4.363900186219114 (3.31988e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 4.363900088964026 (2.22863e-06% change) linmin: converged after 3 iterations. iteration 22: trace = 4.363900060699542 (6.47689e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 4.36390005530451 (1.23629e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 4.363900051912937 (7.77188e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 4.363900047515015 (1.0078e-07% change) linmin: converged after 10 iterations. iteration 26: trace = 4.363900042904682 (1.05647e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 4.36390004038918 (5.76434e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 4.36390003927038 (2.56376e-08% change) linmin: converged after 9 iterations. iteration 29: trace = 4.363900038955538 (7.21468e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.363900038873569 (1.87834e-09% change) linmin: converged after 26 iterations. iteration 31: trace = 4.363900038847108 (6.06373e-10% change) linmin: converged after 19 iterations. iteration 32: trace = 4.363900038835858 (2.57789e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.36390003883082 (1.15462e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.363900038828961 (4.25985e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0718091, 0.426256, 0.719077, 0.721195, 0.746706, 0.789405, 0.817423, 1.1362 elapsed time for k point: 0.22470355033874512 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.337244337609678 (0.916306% change) linmin: converged after 5 iterations. iteration 2: trace = 4.328998104322993 (0.190307% change) linmin: converged after 5 iterations. iteration 3: trace = 4.32639370164097 (0.0601799% change) linmin: converged after 4 iterations. iteration 4: trace = 4.326044500292335 (0.00807174% change) linmin: converged after 4 iterations. iteration 5: trace = 4.326009019266948 (0.000820176% change) linmin: converged after 5 iterations. iteration 6: trace = 4.325999490809005 (0.00022026% change) linmin: converged after 6 iterations. iteration 7: trace = 4.325995296299609 (9.69605e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.325994594651871 (1.62193e-05% change) linmin: converged after 21 iterations. iteration 9: trace = 4.325994488077121 (2.46359e-06% change) linmin: converged after 15 iterations. iteration 10: trace = 4.325994468151046 (4.60613e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.325994462562192 (1.29192e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.325994459723793 (6.56126e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.32599445837473 (3.1185e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.325994457749017 (1.4464e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.325994457604776 (3.33429e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.325994457594259 (2.4311e-10% change) linmin: converged after 15 iterations. iteration 17: trace = 4.325994457593159 (2.54382e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.141741, 0.415465, 0.686677, 0.711385, 0.749716, 0.79757, 0.853936, 1.10829 elapsed time for k point: 0.15192270278930664 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.306001070929652 (0.788082% change) linmin: converged after 5 iterations. iteration 2: trace = 4.300360847934489 (0.131071% change) linmin: converged after 5 iterations. iteration 3: trace = 4.298518538322207 (0.04285% change) linmin: converged after 4 iterations. iteration 4: trace = 4.298157359198859 (0.00840276% change) linmin: converged after 4 iterations. iteration 5: trace = 4.29810142377206 (0.00130139% change) linmin: converged after 5 iterations. iteration 6: trace = 4.298085059916545 (0.000380724% change) linmin: converged after 2 iterations. iteration 7: trace = 4.298081361323795 (8.60521e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.298081030130989 (7.7056e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.298080990199845 (9.29046e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.298080980492031 (2.25864e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.298080977563763 (6.81297e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.298080976767695 (1.85215e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.298080976493845 (6.37143e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.298080976439338 (1.26818e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.298080976434354 (1.15949e-10% change) linmin: converged after 4 iterations. iteration 16: trace = 4.298080976434065 (6.73664e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.20751, 0.397084, 0.652562, 0.701411, 0.762486, 0.805503, 0.884623, 1.08016 elapsed time for k point: 0.15797042846679688 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295193771997795 (0.757652% change) linmin: converged after 5 iterations. iteration 2: trace = 4.289005422997731 (0.14418% change) linmin: converged after 5 iterations. iteration 3: trace = 4.286655525617624 (0.0548039% change) linmin: converged after 4 iterations. iteration 4: trace = 4.286149536707246 (0.0118045% change) linmin: converged after 4 iterations. iteration 5: trace = 4.286096391657205 (0.00123993% change) linmin: converged after 6 iterations. iteration 6: trace = 4.286089079043695 (0.000170613% change) linmin: converged after 4 iterations. iteration 7: trace = 4.286087354619918 (4.0233e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.286087144657689 (4.89869e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.286087124718897 (4.65198e-07% change) linmin: converged after 13 iterations. iteration 10: trace = 4.286087122345822 (5.53669e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.286087121648089 (1.6279e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.286087121456529 (4.46936e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.286087121427353 (6.80709e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.286087121422131 (1.21827e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.286087121421341 (1.84429e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.265341, 0.370741, 0.628064, 0.694375, 0.774438, 0.810881, 0.90516, 1.06067 elapsed time for k point: 0.15439081192016602 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.295769793792948 (0.789547% change) linmin: converged after 5 iterations. iteration 2: trace = 4.28778519878741 (0.186044% change) linmin: converged after 5 iterations. iteration 3: trace = 4.284595510942272 (0.0744178% change) linmin: converged after 4 iterations. iteration 4: trace = 4.28394415962977 (0.0152033% change) linmin: converged after 4 iterations. iteration 5: trace = 4.283890904445597 (0.00124314% change) linmin: converged after 3 iterations. iteration 6: trace = 4.283887176226487 (8.70288e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.283886858681741 (7.41254e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.283886826915921 (7.41519e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.28388682147316 (1.27052e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283886820456615 (2.37295e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283886820322503 (3.1306e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283886820305652 (3.93367e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.283886820302828 (6.59102e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.29861, 0.348622, 0.619112, 0.691863, 0.779379, 0.812758, 0.912256, 1.05404 elapsed time for k point: 0.13520145416259766 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.289328030396198 (0.255282% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28802476019065 (0.0303886% change) linmin: converged after 4 iterations. iteration 3: trace = 4.287906729392985 (0.00275261% change) linmin: converged after 6 iterations. iteration 4: trace = 4.28789198256394 (0.000343917% change) linmin: converged after 5 iterations. iteration 5: trace = 4.287890045876974 (4.51664e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.287889552037952 (1.15171e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.287889502750222 (1.14946e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.28788950034711 (5.60442e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.287889500025852 (7.49223e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.287889499903877 (2.84463e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.287889499875894 (6.52604e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.287889499871681 (9.82656e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.300268, 0.34895, 0.613584, 0.697444, 0.77731, 0.813624, 0.911843, 1.05612 elapsed time for k point: 0.12717032432556152 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.30135680349205 (0.254655% change) linmin: converged after 4 iterations. iteration 2: trace = 4.300043563537508 (0.0305355% change) linmin: converged after 14 iterations. iteration 3: trace = 4.299922855277374 (0.00280718% change) linmin: converged after 5 iterations. iteration 4: trace = 4.299907791777737 (0.000350321% change) linmin: converged after 5 iterations. iteration 5: trace = 4.299905439718406 (5.47002e-05% change) linmin: converged after 5 iterations. iteration 6: trace = 4.299904830345856 (1.41718e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.299904776860712 (1.24387e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.29990477259056 (9.93081e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.299904771447066 (2.65935e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.299904771054305 (9.13419e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.299904770962037 (2.1458e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.29990477094445 (4.09005e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.299904770939916 (1.05448e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.29990477093923 (1.59463e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.305133, 0.349455, 0.601266, 0.710158, 0.771875, 0.815569, 0.910763, 1.06226 elapsed time for k point: 0.135941743850708 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.321382841090537 (0.254327% change) linmin: converged after 4 iterations. iteration 2: trace = 4.320030166755696 (0.0313068% change) linmin: converged after 4 iterations. iteration 3: trace = 4.319900410607536 (0.00300364% change) linmin: converged after 5 iterations. iteration 4: trace = 4.319883445006697 (0.000392732% change) linmin: converged after 4 iterations. iteration 5: trace = 4.319880164551647 (7.59385e-05% change) linmin: converged after 7 iterations. iteration 6: trace = 4.319879323285329 (1.94743e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 4.319879250560541 (1.68349e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.319879235729276 (3.43326e-07% change) linmin: converged after 3 iterations. iteration 9: trace = 4.319879227958102 (1.79893e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.319879225421853 (5.87111e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.319879224813201 (1.40896e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.319879224663673 (3.4614e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31987922462695 (8.50085e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.319879224622897 (9.3837e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.312896, 0.348732, 0.588291, 0.724572, 0.764453, 0.817539, 0.909459, 1.0721 elapsed time for k point: 0.13802456855773926 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.349129535370816 (0.255944% change) linmin: converged after 4 iterations. iteration 2: trace = 4.347666951089962 (0.033635% change) linmin: converged after 4 iterations. iteration 3: trace = 4.347512401085769 (0.00355484% change) linmin: converged after 4 iterations. iteration 4: trace = 4.347489679971983 (0.000522625% change) linmin: converged after 5 iterations. iteration 5: trace = 4.347484415105871 (0.000121101% change) linmin: converged after 4 iterations. iteration 6: trace = 4.347482964576337 (3.33648e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.347482711409491 (5.8233e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.347482493192526 (5.01939e-06% change) linmin: converged after 12 iterations. iteration 9: trace = 4.347482344420546 (3.42203e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.347482298963948 (1.04558e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.347482289718709 (2.12657e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.347482287039397 (6.1629e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.347482286360999 (1.56044e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.347482286300156 (1.3995e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 4.347482286295715 (1.02149e-10% change) linmin: converged after 5 iterations. iteration 16: trace = 4.3474822862955 (4.94399e-12% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.323089, 0.344682, 0.578717, 0.737675, 0.756131, 0.818898, 0.9085, 1.08513 elapsed time for k point: 0.15701866149902344 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.383709611536421 (0.261984% change) linmin: converged after 5 iterations. iteration 2: trace = 4.382001036495846 (0.0389831% change) linmin: converged after 5 iterations. iteration 3: trace = 4.381788780260462 (0.00484394% change) linmin: converged after 4 iterations. iteration 4: trace = 4.381750715857315 (0.000868699% change) linmin: converged after 5 iterations. iteration 5: trace = 4.381738092896315 (0.000288081% change) linmin: converged after 6 iterations. iteration 6: trace = 4.381730455726061 (0.000174296% change) linmin: converged after 3 iterations. iteration 7: trace = 4.381717816255641 (0.000288459% change) large trace change predicted (0.00139713%) linmin: converged after 4 iterations. iteration 8: trace = 4.381656919176987 (0.00138981% change) large trace change predicted (0.0051514%) linmin: converged after 5 iterations. iteration 9: trace = 4.381441330733306 (0.00492037% change) linmin: converged after 5 iterations. iteration 10: trace = 4.381282131279325 (0.00363356% change) linmin: converged after 4 iterations. iteration 11: trace = 4.381241296825334 (0.000932025% change) linmin: converged after 4 iterations. iteration 12: trace = 4.381221871387272 (0.000443378% change) linmin: converged after 3 iterations. iteration 13: trace = 4.381216164335712 (0.000130262% change) linmin: converged after 2 iterations. iteration 14: trace = 4.381215701244823 (1.05699e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.381215670929221 (6.91945e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 4.381215668899547 (4.63267e-08% change) linmin: converged after 15 iterations. iteration 17: trace = 4.38121566842275 (1.08827e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 4.38121566818573 (5.40992e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.381215667875738 (7.07548e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 4.381215667457712 (9.54132e-09% change) large trace change predicted (2.89871e-08%) linmin: converged after 4 iterations. iteration 21: trace = 4.381215666187726 (2.89871e-08% change) large trace change predicted (1.22559e-07%) linmin: converged after 2 iterations. iteration 22: trace = 4.38121566081816 (1.22559e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.381215657974622 (6.49029e-08% change) linmin: converged after 11 iterations. iteration 24: trace = 4.381215657571819 (9.19387e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 4.381215657498213 (1.68004e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.38121565748099 (3.93123e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.381215657476101 (1.11579e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.381215657475532 (1.29946e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.335117, 0.335185, 0.575171, 0.747622, 0.747877, 0.819365, 0.908267, 1.10053 elapsed time for k point: 0.27755141258239746 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.331786090078049 (0.980962% change) linmin: converged after 5 iterations. iteration 2: trace = 4.325045837959946 (0.155721% change) linmin: converged after 4 iterations. iteration 3: trace = 4.323282384521733 (0.0407814% change) linmin: converged after 4 iterations. iteration 4: trace = 4.322801726673121 (0.0111185% change) linmin: converged after 5 iterations. iteration 5: trace = 4.322744261437419 (0.00132936% change) linmin: converged after 5 iterations. iteration 6: trace = 4.322738562405229 (0.000131838% change) linmin: converged after 5 iterations. iteration 7: trace = 4.322737639096739 (2.13593e-05% change) linmin: converged after 14 iterations. iteration 8: trace = 4.322737373315284 (6.14845e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.322737323966322 (1.14161e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.322737320305619 (8.46848e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.322737319841387 (1.07393e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.32273731950741 (7.72606e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 4.322737319388514 (2.75048e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.322737319377672 (2.50813e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 4.322737319376866 (1.86358e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.29626, 0.362261, 0.589196, 0.732899, 0.756464, 0.817346, 0.906977, 1.07543 elapsed time for k point: 0.1696155071258545 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.30733259192351 (0.923129% change) linmin: converged after 4 iterations. iteration 2: trace = 4.302220684623329 (0.11875% change) linmin: converged after 4 iterations. iteration 3: trace = 4.301135561283071 (0.0252256% change) linmin: converged after 4 iterations. iteration 4: trace = 4.300888756572574 (0.00573829% change) linmin: converged after 4 iterations. iteration 5: trace = 4.3008568198607 (0.000742564% change) linmin: converged after 7 iterations. iteration 6: trace = 4.300852819316737 (9.30174e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.300851758232528 (2.46715e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 4.300851520938096 (5.51738e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.300851493117166 (6.4687e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.300851491505008 (3.74846e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.30085149141083 (2.18975e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.300851491406211 (1.07386e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.300851491405948 (6.13341e-12% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.235812, 0.389044, 0.624419, 0.723246, 0.753158, 0.811064, 0.894195, 1.07529 elapsed time for k point: 0.15983343124389648 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.324349374017137 (0.940312% change) linmin: converged after 4 iterations. iteration 2: trace = 4.31885438777056 (0.127152% change) linmin: converged after 4 iterations. iteration 3: trace = 4.317434132378246 (0.0328904% change) linmin: converged after 4 iterations. iteration 4: trace = 4.317148349406809 (0.0066195% change) linmin: converged after 4 iterations. iteration 5: trace = 4.317118057908731 (0.000701658% change) linmin: converged after 5 iterations. iteration 6: trace = 4.317114586099012 (8.04196e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 4.317113326114097 (2.91858e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.317112957372542 (8.54139e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 4.31711290354308 (1.24689e-06% change) linmin: converged after 14 iterations. iteration 10: trace = 4.317112897314944 (1.44266e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.317112896825685 (1.1333e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 4.31711289679096 (8.0436e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.317112896788793 (5.01786e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.162664, 0.41101, 0.66948, 0.720558, 0.745707, 0.801251, 0.86394, 1.09993 elapsed time for k point: 0.13463163375854492 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.370612521887688 (1.0309% change) linmin: converged after 3 iterations. iteration 2: trace = 4.362179672344748 (0.193131% change) linmin: converged after 5 iterations. iteration 3: trace = 4.358935647496757 (0.0743947% change) linmin: converged after 4 iterations. iteration 4: trace = 4.358364216793742 (0.0131103% change) linmin: converged after 4 iterations. iteration 5: trace = 4.358306058549726 (0.00133441% change) linmin: converged after 4 iterations. iteration 6: trace = 4.358298660455427 (0.000169747% change) linmin: converged after 5 iterations. iteration 7: trace = 4.358297720839165 (2.15592e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.358297586070673 (3.09223e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.358297546325382 (9.11945e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.358297522360147 (5.49876e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 4.358297517194552 (1.18523e-07% change) linmin: converged after 15 iterations. iteration 12: trace = 4.358297516480512 (1.63835e-08% change) linmin: converged after 14 iterations. iteration 13: trace = 4.358297516296371 (4.22506e-09% change) linmin: converged after 8 iterations. iteration 14: trace = 4.358297516225988 (1.61492e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.35829751621598 (2.29651e-10% change) linmin: converged after 14 iterations. iteration 16: trace = 4.358297516212385 (8.24739e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0828005, 0.425068, 0.71283, 0.723369, 0.744337, 0.790724, 0.823156, 1.13248 elapsed time for k point: 0.14824318885803223 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.411986819853022 (1.21496% change) linmin: converged after 5 iterations. iteration 2: trace = 4.395278738318527 (0.379416% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386670154538979 (0.196052% change) linmin: converged after 4 iterations. iteration 4: trace = 4.385375435085717 (0.0295192% change) linmin: converged after 4 iterations. iteration 5: trace = 4.385158037461173 (0.00495745% change) linmin: converged after 5 iterations. iteration 6: trace = 4.385115462211111 (0.000970899% change) linmin: converged after 5 iterations. iteration 7: trace = 4.385101645836655 (0.000315075% change) linmin: converged after 6 iterations. iteration 8: trace = 4.385091804775308 (0.000224421% change) linmin: converged after 6 iterations. iteration 9: trace = 4.385087112979726 (0.000106994% change) linmin: converged after 3 iterations. iteration 10: trace = 4.385086288853222 (1.87938e-05% change) linmin: converged after 18 iterations. iteration 11: trace = 4.385086150105526 (3.16408e-06% change) linmin: converged after 24 iterations. iteration 12: trace = 4.385086139697305 (2.37355e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.385086139058149 (1.45757e-08% change) linmin: converged after 18 iterations. iteration 14: trace = 4.385086138940978 (2.67204e-09% change) large trace change predicted (7.99145e-09%) linmin: converged after 19 iterations. iteration 15: trace = 4.385086138590539 (7.99161e-09% change) large trace change predicted (6.99046e-08%) linmin: converged after 4 iterations. iteration 16: trace = 4.385086135525146 (6.9905e-08% change) large trace change predicted (2.99638e-07%) linmin: converged after 15 iterations. iteration 17: trace = 4.38508612238568 (2.9964e-07% change) large trace change predicted (1.05365e-06%) linmin: converged after 4 iterations. iteration 18: trace = 4.385086076184955 (1.05359e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 19: trace = 4.385075354205838 (0.00024451% change) linmin: converged after 9 iterations. iteration 20: trace = 4.385074742555071 (1.39485e-05% change) linmin: converged after 7 iterations. iteration 21: trace = 4.385074123016911 (1.41283e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.385073489483645 (1.44475e-05% change) linmin: converged after 6 iterations. iteration 23: trace = 4.385072830671909 (1.5024e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.385072133156352 (1.59066e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 4.385071381701924 (1.71367e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.38507055881408 (1.87657e-05% change) linmin: converged after 11 iterations. iteration 27: trace = 4.385069644258448 (2.08561e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.385068615201292 (2.34673e-05% change) linmin: converged after 6 iterations. iteration 29: trace = 4.385067448165703 (2.66139e-05% change) linmin: converged after 12 iterations. iteration 30: trace = 4.385066125006874 (3.01742e-05% change) linmin: converged after 10 iterations. iteration 31: trace = 4.385064645392967 (3.37421e-05% change) linmin: converged after 10 iterations. iteration 32: trace = 4.385063043532337 (3.65299e-05% change) linmin: converged after 7 iterations. iteration 33: trace = 4.385061393686593 (3.76242e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 4.385059785765457 (3.66682e-05% change) linmin: converged after 6 iterations. iteration 35: trace = 4.38505828571092 (3.42083e-05% change) linmin: converged after 10 iterations. iteration 36: trace = 4.385056918715764 (3.11739e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.38505568014297 (2.82453e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 4.385054552447188 (2.57168e-05% change) linmin: converged after 6 iterations. iteration 39: trace = 4.385053515901609 (2.36381e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 4.385052553115354 (2.19561e-05% change) linmin: converged after 10 iterations. iteration 41: trace = 4.385051650230681 (2.05901e-05% change) linmin: converged after 8 iterations. iteration 42: trace = 4.385050796780807 (1.94627e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.385049985135449 (1.85094e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.385049209893258 (1.76792e-05% change) linmin: converged after 6 iterations. iteration 45: trace = 4.385048467337937 (1.69338e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.385047754984416 (1.62451e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.385047071278264 (1.55918e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 4.385046415093593 (1.49641e-05% change) linmin: converged after 7 iterations. iteration 49: trace = 4.385045785697033 (1.43532e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.385045182665159 (1.3752e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 4.385044605515017 (1.31618e-05% change) linmin: converged after 7 iterations. iteration 52: trace = 4.385044053772608 (1.25824e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.385043526949073 (1.20141e-05% change) linmin: converged after 6 iterations. iteration 54: trace = 4.38504302444603 (1.14595e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.385042545584802 (1.09203e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 4.385042089573762 (1.03992e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.385041655577478 (9.8972e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 4.385041242694529 (9.41571e-06% change) linmin: converged after 7 iterations. iteration 59: trace = 4.385040849983951 (8.95569e-06% change) linmin: converged after 5 iterations. iteration 60: trace = 4.385040476484113 (8.51759e-06% change) linmin: converged after 5 iterations. iteration 61: trace = 4.385040121217231 (8.10179e-06% change) linmin: converged after 5 iterations. iteration 62: trace = 4.385039783217611 (7.70802e-06% change) linmin: converged after 5 iterations. iteration 63: trace = 4.385039461533078 (7.33595e-06% change) linmin: converged after 8 iterations. iteration 64: trace = 4.385039155231173 (6.98516e-06% change) linmin: converged after 5 iterations. iteration 65: trace = 4.385038863412921 (6.65486e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 4.385038585211775 (6.34433e-06% change) linmin: converged after 11 iterations. iteration 67: trace = 4.385038319799365 (6.05268e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 4.385038066386834 (5.77903e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 4.385037824224584 (5.52247e-06% change) resetting CG direction... large trace change predicted (0.00313316%) linmin: converged after 4 iterations. iteration 70: trace = 4.384900323834382 (0.00313572% change) linmin: converged after 5 iterations. iteration 71: trace = 4.384884251653409 (0.000366535% change) linmin: converged after 15 iterations. iteration 72: trace = 4.384873438099873 (0.00024661% change) linmin: converged after 4 iterations. iteration 73: trace = 4.384870687921397 (6.27197e-05% change) linmin: converged after 8 iterations. iteration 74: trace = 4.384870449208404 (5.44401e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 4.384870415805898 (7.61767e-07% change) linmin: converged after 6 iterations. iteration 76: trace = 4.38487040111867 (3.34952e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 4.384870393492229 (1.73926e-07% change) linmin: converged after 3 iterations. iteration 78: trace = 4.384870389505634 (9.09171e-08% change) linmin: converged after 17 iterations. iteration 79: trace = 4.384870388333979 (2.67204e-08% change) linmin: converged after 7 iterations. iteration 80: trace = 4.384870388228482 (2.40593e-09% change) linmin: converged after 5 iterations. iteration 81: trace = 4.384870388201534 (6.14553e-10% change) large trace change predicted (3.52788e-09%) linmin: converged after 3 iterations. iteration 82: trace = 4.384870388046835 (3.52803e-09% change) large trace change predicted (3.76309e-08%) linmin: converged after 11 iterations. iteration 83: trace = 4.384870386396763 (3.7631e-08% change) large trace change predicted (1.53218e-07%) linmin: converged after 4 iterations. iteration 84: trace = 4.384870379678431 (1.53216e-07% change) linmin: converged after 12 iterations. iteration 85: trace = 4.384870373496177 (1.40991e-07% change) linmin: converged after 5 iterations. iteration 86: trace = 4.384870369364628 (9.42228e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 4.384870363595912 (1.3156e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 4.384870360433216 (7.21275e-08% change) linmin: converged after 4 iterations. iteration 89: trace = 4.384870359582584 (1.93993e-08% change) linmin: converged after 19 iterations. iteration 90: trace = 4.384870359189021 (8.97547e-09% change) linmin: converged after 5 iterations. iteration 91: trace = 4.384870359114158 (1.7073e-09% change) linmin: converged after 3 iterations. iteration 92: trace = 4.384870359106892 (1.6571e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 4.384870359106214 (1.5455e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.429848, 0.72559, 0.725871, 0.769398, 0.785279, 0.785658, 1.14928 elapsed time for k point: 0.3722226619720459 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.3351167660354986 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.3351850759916969 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.42984811237816406 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5751709345431465 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7255897672261712 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6918627724774278 at Vector3<0.0, 0.5, 0.0> to 0.7476220778306566 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7443374497087797 at Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> to 0.7793792212092521 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.78527869844185 at Vector3<0.0, 0.0, 0.0> to 0.8193652861712554 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.7856577771856614 at Vector3<0.0, 0.0, 0.0> to 0.9122560439014186 at Vector3<0.0, 0.5, 0.0> Band 8 range: 1.0540350508135126 at Vector3<0.0, 0.5, 0.0> to 1.149276938923452 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.3351167660354986) to band 2 (0.3351850759916969), 0.020381849464022318% Gap from band 2 (0.42984811237816406) to band 3 (0.5751709345431465), 28.919416524522983% Gap from band 5 (0.7793792212092521) to band 6 (0.78527869844185), 0.7540916335135398% Gap from band 7 (0.9122560439014186) to band 8 (1.0540350508135126), 14.420958045649781% total elapsed time for run: 2.8549163341522217 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0.166667,0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) cylinder, center = (-0.166667,-0.166667,0) radius 0.14, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 2 object nodes (vs. 2 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0017375946044921875 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 17.92607897538319 (194.877% change) linmin: converged after 7 iterations. iteration 2: trace = 7.881119914880881 (77.8462% change) linmin: converged after 5 iterations. iteration 3: trace = 6.848510109177969 (14.0209% change) linmin: converged after 7 iterations. iteration 4: trace = 6.588886523633432 (3.86419% change) linmin: converged after 4 iterations. iteration 5: trace = 6.523769424240228 (0.993195% change) linmin: converged after 4 iterations. iteration 6: trace = 6.496465469866148 (0.419408% change) linmin: converged after 5 iterations. iteration 7: trace = 6.483109823717936 (0.205795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.47489345606278 (0.126815% change) linmin: converged after 4 iterations. iteration 9: trace = 6.472166897132243 (0.0421186% change) linmin: converged after 4 iterations. iteration 10: trace = 6.470881088000219 (0.0198687% change) linmin: converged after 4 iterations. iteration 11: trace = 6.470157573753596 (0.0111817% change) linmin: converged after 4 iterations. iteration 12: trace = 6.469608843969674 (0.00848129% change) linmin: converged after 4 iterations. iteration 13: trace = 6.469122408660828 (0.00751906% change) linmin: converged after 5 iterations. iteration 14: trace = 6.468841027070809 (0.0043497% change) linmin: converged after 4 iterations. iteration 15: trace = 6.468666577909485 (0.0026968% change) linmin: converged after 4 iterations. iteration 16: trace = 6.468592519452094 (0.00114489% change) linmin: converged after 5 iterations. iteration 17: trace = 6.468566795431892 (0.000397676% change) linmin: converged after 4 iterations. iteration 18: trace = 6.468554711940077 (0.000186803% change) linmin: converged after 5 iterations. iteration 19: trace = 6.468546490013788 (0.000127106% change) linmin: converged after 5 iterations. iteration 20: trace = 6.468532135358178 (0.000221915% change) large trace change predicted (0.00051345%) linmin: converged after 5 iterations. iteration 21: trace = 6.468498926665532 (0.00051339% change) large trace change predicted (0.00142191%) linmin: converged after 5 iterations. iteration 22: trace = 6.468407161827736 (0.00141865% change) large trace change predicted (0.00515645%) linmin: converged after 4 iterations. iteration 23: trace = 6.468086335224053 (0.00496002% change) large trace change predicted (0.0109938%) linmin: converged after 11 iterations. iteration 24: trace = 6.467419876416453 (0.0103043% change) linmin: converged after 7 iterations. iteration 25: trace = 6.466887403808943 (0.00823349% change) linmin: converged after 5 iterations. iteration 26: trace = 6.46664078986795 (0.00381356% change) linmin: converged after 3 iterations. iteration 27: trace = 6.466547272917 (0.00144615% change) linmin: converged after 8 iterations. iteration 28: trace = 6.466507039001571 (0.000622187% change) linmin: converged after 3 iterations. iteration 29: trace = 6.466489937738228 (0.000264459% change) linmin: converged after 3 iterations. iteration 30: trace = 6.466483473165567 (9.99704e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.466478920808034 (7.03993e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466475299913414 (5.59949e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 6.46647264014508 (4.11317e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.466470979754835 (2.56769e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.466469915055258 (1.64649e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 6.466469179614521 (1.13731e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.46646875172329 (6.61708e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466468412457695 (5.24654e-06% change) linmin: converged after 6 iterations. iteration 39: trace = 6.466467929858439 (7.4631e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 6.466467100420315 (1.28268e-05% change) large trace change predicted (2.85188e-05%) linmin: converged after 5 iterations. iteration 41: trace = 6.466465255870575 (2.85248e-05% change) large trace change predicted (6.2393e-05%) linmin: converged after 6 iterations. iteration 42: trace = 6.466461220016761 (6.24121e-05% change) large trace change predicted (0.000157529%) linmin: converged after 5 iterations. iteration 43: trace = 6.46645103001381 (0.000157582% change) linmin: converged after 8 iterations. iteration 44: trace = 6.466433013341643 (0.000278618% change) linmin: converged after 6 iterations. iteration 45: trace = 6.466416782672162 (0.000250999% change) linmin: converged after 5 iterations. iteration 46: trace = 6.4664094905272 (0.00011277% change) linmin: converged after 5 iterations. iteration 47: trace = 6.466406899774644 (4.00648e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.46640609447639 (1.24536e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 6.466405844610549 (3.86406e-06% change) linmin: converged after 2 iterations. iteration 50: trace = 6.466405769905435 (1.15528e-06% change) linmin: converged after 2 iterations. iteration 51: trace = 6.466405747179933 (3.51439e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.466405737995057 (1.4204e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 6.466405731537542 (9.98625e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405724918882 (1.02355e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 6.46640571804728 (1.06266e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.46640571327516 (7.37987e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.466405709707839 (5.5167e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405707036908 (4.13047e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.46640570413072 (4.49429e-08% change) linmin: converged after 2 iterations. iteration 60: trace = 6.466405699086192 (7.80113e-08% change) large trace change predicted (1.56029e-07%) linmin: converged after 4 iterations. iteration 61: trace = 6.466405688996683 (1.5603e-07% change) large trace change predicted (3.74427e-07%) linmin: converged after 10 iterations. iteration 62: trace = 6.466405664784492 (3.7443e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 6.466405627488661 (5.76763e-07% change) linmin: converged after 12 iterations. iteration 64: trace = 6.466405586875672 (6.28061e-07% change) linmin: converged after 23 iterations. iteration 65: trace = 6.466405565064147 (3.37305e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 6.4664055559071 (1.4161e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.46640555260463 (5.10712e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.466405551334199 (1.96466e-08% change) linmin: converged after 2 iterations. iteration 69: trace = 6.466405550798717 (8.28098e-09% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.466405550641908 (2.42498e-09% change) linmin: converged after 3 iterations. iteration 71: trace = 6.466405550503332 (2.14302e-09% change) linmin: converged after 9 iterations. iteration 72: trace = 6.466405550444732 (9.06212e-10% change) linmin: converged after 2 iterations. iteration 73: trace = 6.466405550414196 (4.72232e-10% change) linmin: converged after 3 iterations. iteration 74: trace = 6.466405550383241 (4.78702e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.466405550351419 (4.92121e-10% change) large trace change predicted (1.03796e-09%) linmin: converged after 4 iterations. iteration 76: trace = 6.466405550284295 (1.03804e-09% change) large trace change predicted (2.15828e-09%) linmin: converged after 3 iterations. iteration 77: trace = 6.466405550144725 (2.15837e-09% change) large trace change predicted (4.86816e-09%) linmin: converged after 2 iterations. iteration 78: trace = 6.466405549829948 (4.86789e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 6.466405549268318 (8.68535e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.466405548565625 (1.08668e-08% change) linmin: converged after 3 iterations. iteration 81: trace = 6.466405547892629 (1.04076e-08% change) linmin: converged after 3 iterations. iteration 82: trace = 6.466405547384065 (7.86471e-09% change) linmin: converged after 3 iterations. iteration 83: trace = 6.466405546956302 (6.61517e-09% change) linmin: converged after 12 iterations. iteration 84: trace = 6.466405546505226 (6.97568e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.466405546056942 (6.93251e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.466405545724251 (5.14492e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 6.466405545536705 (2.90031e-09% change) linmin: converged after 2 iterations. iteration 88: trace = 6.46640554546141 (1.16439e-09% change) linmin: converged after 3 iterations. iteration 89: trace = 6.466405545440695 (3.20348e-10% change) linmin: converged after 4 iterations. iteration 90: trace = 6.466405545433981 (1.03839e-10% change) linmin: converged after 3 iterations. iteration 91: trace = 6.466405545431611 (3.66457e-11% change) Finished solving for bands 2 to 8 after 91 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 elapsed time for k point: 0.5459990501403809 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.464067053669357 (0.950104% change) linmin: converged after 6 iterations. iteration 2: trace = 6.434765702784639 (0.454326% change) linmin: converged after 4 iterations. iteration 3: trace = 6.415644747700409 (0.297593% change) linmin: converged after 5 iterations. iteration 4: trace = 6.394653603632566 (0.327723% change) linmin: converged after 5 iterations. iteration 5: trace = 6.384220860662882 (0.163281% change) linmin: converged after 4 iterations. iteration 6: trace = 6.377901272319226 (0.0990366% change) linmin: converged after 4 iterations. iteration 7: trace = 6.375261062399932 (0.0414048% change) linmin: converged after 4 iterations. iteration 8: trace = 6.373625086028884 (0.0256646% change) linmin: converged after 4 iterations. iteration 9: trace = 6.372011047626751 (0.0253269% change) linmin: converged after 4 iterations. iteration 10: trace = 6.370462458419555 (0.0243059% change) linmin: converged after 5 iterations. iteration 11: trace = 6.369069011403234 (0.021876% change) linmin: converged after 4 iterations. iteration 12: trace = 6.368402519858785 (0.0104651% change) linmin: converged after 3 iterations. iteration 13: trace = 6.368153913662254 (0.00390382% change) linmin: converged after 3 iterations. iteration 14: trace = 6.368046529099064 (0.00168629% change) linmin: converged after 5 iterations. iteration 15: trace = 6.368001436765208 (0.000708106% change) linmin: converged after 5 iterations. iteration 16: trace = 6.367977391422778 (0.000377597% change) linmin: converged after 4 iterations. iteration 17: trace = 6.367957304381571 (0.000315439% change) linmin: converged after 4 iterations. iteration 18: trace = 6.367940626652769 (0.000261901% change) linmin: converged after 4 iterations. iteration 19: trace = 6.367929610028832 (0.000173002% change) linmin: converged after 5 iterations. iteration 20: trace = 6.367922428078566 (0.000112783% change) linmin: converged after 5 iterations. iteration 21: trace = 6.367918388195516 (6.34412e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 6.367915639597514 (4.31632e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 6.36791367406002 (3.08663e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 6.367912248326844 (2.23893e-05% change) linmin: converged after 16 iterations. iteration 25: trace = 6.367910983142096 (1.98681e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 6.367910002777575 (1.53954e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.36790948337494 (8.15656e-06% change) linmin: converged after 17 iterations. iteration 28: trace = 6.367909240413528 (3.8154e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 6.367909155901631 (1.32715e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.367909122690511 (5.21539e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 6.367909103766926 (2.97171e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.367909090577581 (2.07122e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 6.367909079277712 (1.7745e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 6.36790906864871 (1.66915e-07% change) linmin: converged after 4 iterations. iteration 35: trace = 6.367909061036064 (1.19547e-07% change) linmin: converged after 4 iterations. iteration 36: trace = 6.367909056621686 (6.93223e-08% change) linmin: converged after 7 iterations. iteration 37: trace = 6.367909054296987 (3.65065e-08% change) linmin: converged after 25 iterations. iteration 38: trace = 6.367909052624112 (2.62704e-08% change) linmin: converged after 4 iterations. iteration 39: trace = 6.367909051314635 (2.05637e-08% change) linmin: converged after 19 iterations. iteration 40: trace = 6.367909050370923 (1.48198e-08% change) linmin: converged after 12 iterations. iteration 41: trace = 6.367909049791789 (9.09459e-09% change) linmin: converged after 4 iterations. iteration 42: trace = 6.367909049418208 (5.86661e-09% change) linmin: converged after 7 iterations. iteration 43: trace = 6.367909049257634 (2.52162e-09% change) linmin: converged after 15 iterations. iteration 44: trace = 6.367909049201551 (8.80701e-10% change) linmin: converged after 3 iterations. iteration 45: trace = 6.36790904918262 (2.97296e-10% change) linmin: converged after 16 iterations. iteration 46: trace = 6.367909049171294 (1.77861e-10% change) linmin: converged after 3 iterations. iteration 47: trace = 6.36790904915873 (1.97291e-10% change) linmin: converged after 3 iterations. iteration 48: trace = 6.367909049144634 (2.21364e-10% change) linmin: converged after 3 iterations. iteration 49: trace = 6.367909049133674 (1.72115e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 6.367909049127841 (9.15947e-11% change) Finished solving for bands 1 to 8 after 50 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.10214, 0.723854, 0.784332, 0.900771, 0.902155, 1.03144, 1.03948, 1.2036 elapsed time for k point: 0.47177863121032715 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 6.320003260588898 (0.45358% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311018991319353 (0.142257% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308745252010862 (0.0360346% change) linmin: converged after 3 iterations. iteration 4: trace = 6.30786887448632 (0.0138924% change) linmin: converged after 3 iterations. iteration 5: trace = 6.307557660640787 (0.00493386% change) linmin: converged after 3 iterations. iteration 6: trace = 6.307472354505054 (0.00135245% change) linmin: converged after 18 iterations. iteration 7: trace = 6.307433279783377 (0.000619501% change) linmin: converged after 3 iterations. iteration 8: trace = 6.307420189300787 (0.000207541% change) linmin: converged after 3 iterations. iteration 9: trace = 6.307414904205114 (8.37918e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 6.307412046921455 (4.53004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.307410415159065 (2.58706e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 6.307409446531607 (1.5357e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.307408968969276 (7.57145e-06% change) linmin: converged after 26 iterations. iteration 14: trace = 6.307408722233328 (3.91184e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.307408593328495 (2.04371e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 6.307408549531673 (6.94371e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.307408534807223 (2.33447e-07% change) linmin: converged after 8 iterations. iteration 18: trace = 6.307408529970343 (7.66857e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 6.307408528488401 (2.34953e-08% change) linmin: converged after 10 iterations. iteration 20: trace = 6.307408528005171 (7.66131e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 6.307408527853786 (2.40011e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.307408527794083 (9.46559e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 6.307408527756509 (5.95704e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.307408527736825 (3.12074e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.307408527727556 (1.46969e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 6.307408527722558 (7.92367e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.203735, 0.707761, 0.769484, 0.867508, 0.869257, 1.05383, 1.07964, 1.17834 elapsed time for k point: 0.2749674320220947 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.297463613016943 (0.437255% change) linmin: converged after 4 iterations. iteration 2: trace = 6.286946394765085 (0.167147% change) linmin: converged after 3 iterations. iteration 3: trace = 6.284028604057987 (0.0464211% change) linmin: converged after 4 iterations. iteration 4: trace = 6.282826267186057 (0.019135% change) linmin: converged after 3 iterations. iteration 5: trace = 6.282353152588189 (0.00753057% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282211510432963 (0.00225463% change) linmin: converged after 4 iterations. iteration 7: trace = 6.28210807752835 (0.00164645% change) linmin: converged after 4 iterations. iteration 8: trace = 6.282049428305429 (0.000933596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282007604384527 (0.000665771% change) linmin: converged after 4 iterations. iteration 10: trace = 6.28198892944936 (0.000297277% change) linmin: converged after 4 iterations. iteration 11: trace = 6.281981237844897 (0.000122439% change) linmin: converged after 5 iterations. iteration 12: trace = 6.281976759972078 (7.12812e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.281973995724723 (4.40028e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 6.2819724946079 (2.38956e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.281971806094752 (1.09601e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.281971630844388 (2.78974e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 6.281971579295186 (8.2059e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.281971566101337 (2.10027e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 6.281971562304189 (6.04452e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.281971560806635 (2.38389e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.281971560352624 (7.22721e-09% change) linmin: converged after 18 iterations. iteration 22: trace = 6.281971560186316 (2.64738e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 6.281971560120156 (1.05318e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 6.281971560091684 (4.53239e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.281971560080303 (1.81157e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 6.281971560075127 (8.23994e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.304067, 0.663675, 0.75048, 0.840899, 0.85049, 1.07273, 1.11526, 1.16655 elapsed time for k point: 0.26652979850769043 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.300840158369326 (0.430756% change) linmin: converged after 4 iterations. iteration 2: trace = 6.289206684355614 (0.184804% change) linmin: converged after 3 iterations. iteration 3: trace = 6.286050269834831 (0.0502004% change) linmin: converged after 4 iterations. iteration 4: trace = 6.284751976800665 (0.0206557% change) linmin: converged after 4 iterations. iteration 5: trace = 6.28407227131049 (0.0108157% change) linmin: converged after 4 iterations. iteration 6: trace = 6.283704056617327 (0.00585966% change) linmin: converged after 7 iterations. iteration 7: trace = 6.2832585270345 (0.00709049% change) linmin: converged after 4 iterations. iteration 8: trace = 6.283014882136316 (0.00387776% change) linmin: converged after 4 iterations. iteration 9: trace = 6.282869782341344 (0.00230942% change) linmin: converged after 4 iterations. iteration 10: trace = 6.282800167351094 (0.00110802% change) linmin: converged after 4 iterations. iteration 11: trace = 6.28274700499586 (0.000846161% change) linmin: converged after 9 iterations. iteration 12: trace = 6.282703557060905 (0.000691546% change) linmin: converged after 5 iterations. iteration 13: trace = 6.282682229334572 (0.000339468% change) linmin: converged after 4 iterations. iteration 14: trace = 6.282675130392991 (0.000112992% change) linmin: converged after 3 iterations. iteration 15: trace = 6.282672608965546 (4.0133e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 6.282672096548786 (8.15603e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 6.282671912329325 (2.93218e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 6.28267184119006 (1.13231e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 6.282671801233814 (6.35975e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.282671779010525 (3.53724e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.28267177078478 (1.30928e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.282671767753041 (4.82556e-08% change) linmin: converged after 16 iterations. iteration 23: trace = 6.282671766763957 (1.57431e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 6.282671766458821 (4.85679e-09% change) linmin: converged after 13 iterations. iteration 25: trace = 6.282671766336982 (1.93928e-09% change) linmin: converged after 8 iterations. iteration 26: trace = 6.282671766260689 (1.21434e-09% change) linmin: converged after 10 iterations. iteration 27: trace = 6.282671766201561 (9.41125e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 6.282671766155276 (7.36719e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.282671766133061 (3.53593e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.282671766123542 (1.51506e-10% change) linmin: converged after 6 iterations. iteration 31: trace = 6.28267176611981 (5.94035e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.401691, 0.590457, 0.741009, 0.822518, 0.84569, 1.08497, 1.13738, 1.16665 elapsed time for k point: 0.3282032012939453 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32305852451857 (0.41541% change) linmin: converged after 4 iterations. iteration 2: trace = 6.311730025503867 (0.179322% change) linmin: converged after 4 iterations. iteration 3: trace = 6.308426930511856 (0.0523463% change) linmin: converged after 4 iterations. iteration 4: trace = 6.306501212724845 (0.0305308% change) linmin: converged after 4 iterations. iteration 5: trace = 6.304352136232588 (0.034083% change) linmin: converged after 4 iterations. iteration 6: trace = 6.302203468400638 (0.0340881% change) linmin: converged after 5 iterations. iteration 7: trace = 6.299495340678916 (0.0429804% change) linmin: converged after 4 iterations. iteration 8: trace = 6.298130082632392 (0.0216748% change) linmin: converged after 4 iterations. iteration 9: trace = 6.296931272767017 (0.0190362% change) linmin: converged after 4 iterations. iteration 10: trace = 6.295807443255548 (0.0178488% change) linmin: converged after 4 iterations. iteration 11: trace = 6.294899315455991 (0.0144254% change) linmin: converged after 3 iterations. iteration 12: trace = 6.294524809215385 (0.00594954% change) linmin: converged after 3 iterations. iteration 13: trace = 6.294437485924472 (0.0013873% change) linmin: converged after 4 iterations. iteration 14: trace = 6.294418376016299 (0.0003036% change) linmin: converged after 5 iterations. iteration 15: trace = 6.29441118909261 (0.000114179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.294408935263553 (3.58068e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 6.294407437985897 (2.37874e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 6.294406459003853 (1.55532e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 6.294405986379172 (7.50865e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 6.294405825788342 (2.55133e-06% change) linmin: converged after 11 iterations. iteration 21: trace = 6.294405782629283 (6.85673e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 6.294405766447001 (2.5709e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 6.294405751369214 (2.39543e-07% change) linmin: converged after 4 iterations. iteration 24: trace = 6.294405733484961 (2.84129e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 6.294405719045192 (2.29406e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 6.294405712361771 (1.0618e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.294405710179676 (3.46672e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 6.294405708996514 (1.8797e-08% change) linmin: converged after 17 iterations. iteration 29: trace = 6.294405707877621 (1.7776e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.294405706286289 (2.52817e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 6.294405704817201 (2.33396e-08% change) linmin: converged after 5 iterations. iteration 32: trace = 6.294405704102932 (1.13477e-08% change) linmin: converged after 17 iterations. iteration 33: trace = 6.29440570376873 (5.30951e-09% change) linmin: converged after 5 iterations. iteration 34: trace = 6.294405703545728 (3.54286e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 6.29440570340198 (2.28373e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 6.294405703320329 (1.2972e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 6.294405703286797 (5.32732e-10% change) linmin: converged after 4 iterations. iteration 38: trace = 6.294405703273481 (2.1156e-10% change) linmin: converged after 6 iterations. iteration 39: trace = 6.294405703268606 (7.7439e-11% change) Finished solving for bands 1 to 8 after 39 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.478396, 0.520318, 0.738393, 0.816173, 0.844859, 1.08909, 1.14451, 1.17202 elapsed time for k point: 0.3016989231109619 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.304124176924446 (0.136202% change) linmin: converged after 4 iterations. iteration 2: trace = 6.299143727762917 (0.0790343% change) linmin: converged after 4 iterations. iteration 3: trace = 6.297619114860192 (0.0242064% change) linmin: converged after 4 iterations. iteration 4: trace = 6.296869484147609 (0.0119041% change) linmin: converged after 4 iterations. iteration 5: trace = 6.296579810595722 (0.00460038% change) linmin: converged after 5 iterations. iteration 6: trace = 6.296498469687463 (0.00129184% change) linmin: converged after 4 iterations. iteration 7: trace = 6.29647411415061 (0.000386812% change) linmin: converged after 3 iterations. iteration 8: trace = 6.296468894841439 (8.28926e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 6.296468163009845 (1.16229e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296467941171192 (3.52322e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 6.29646786532974 (1.20451e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 6.296467833969841 (4.98055e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 6.296467809829995 (3.83387e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296467783022479 (4.25755e-07% change) linmin: converged after 23 iterations. iteration 15: trace = 6.296467750315609 (5.19448e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.296467727879383 (3.5633e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.296467716753019 (1.76708e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296467707688741 (1.43958e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 6.296467699980609 (1.2242e-07% change) linmin: converged after 27 iterations. iteration 20: trace = 6.296467694261516 (9.08302e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 6.296467691403795 (4.53861e-08% change) linmin: converged after 18 iterations. iteration 22: trace = 6.296467690402601 (1.59009e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 6.296467690046346 (5.65801e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 6.296467689824289 (3.52669e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.296467689597056 (3.6089e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 6.296467689392047 (3.25593e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 6.296467689305398 (1.37615e-09% change) linmin: converged after 7 iterations. iteration 28: trace = 6.296467689279564 (4.10301e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.296467689270653 (1.41525e-10% change) linmin: converged after 5 iterations. iteration 30: trace = 6.296467689265775 (7.747e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.48205, 0.522761, 0.727295, 0.819868, 0.844497, 1.09131, 1.14544, 1.17197 elapsed time for k point: 0.20903706550598145 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.30975586923275 (0.140741% change) linmin: converged after 5 iterations. iteration 2: trace = 6.304446785318165 (0.0841763% change) linmin: converged after 4 iterations. iteration 3: trace = 6.302898425009155 (0.0245628% change) linmin: converged after 4 iterations. iteration 4: trace = 6.302200209028445 (0.0110783% change) linmin: converged after 4 iterations. iteration 5: trace = 6.301949962624072 (0.00397086% change) linmin: converged after 5 iterations. iteration 6: trace = 6.301878185411298 (0.00113897% change) linmin: converged after 5 iterations. iteration 7: trace = 6.301853710018614 (0.000388383% change) linmin: converged after 2 iterations. iteration 8: trace = 6.30184808726186 (8.92239e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 6.301846911960207 (1.86501e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 6.301846388216834 (8.31095e-06% change) linmin: converged after 16 iterations. iteration 11: trace = 6.301846085007986 (4.81143e-06% change) linmin: converged after 7 iterations. iteration 12: trace = 6.301845888867719 (3.11243e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.301845757622948 (2.08264e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 6.301845698619576 (9.36287e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 6.301845668235452 (4.82146e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 6.301845649790792 (2.92687e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.30184562932028 (3.24834e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.3018456018491 (4.35923e-07% change) linmin: converged after 12 iterations. iteration 19: trace = 6.301845579579587 (3.53381e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.301845567110187 (1.97869e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.301845561609795 (8.72822e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 6.301845559125029 (3.94292e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 6.301845557289972 (2.91194e-08% change) linmin: converged after 14 iterations. iteration 24: trace = 6.301845555247243 (3.24148e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.301845553038588 (3.50478e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 6.30184555168397 (2.14956e-08% change) linmin: converged after 5 iterations. iteration 27: trace = 6.301845551182753 (7.95349e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 6.301845550984639 (3.14374e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 6.301845550903849 (1.28201e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 6.301845550857777 (7.31081e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 6.301845550833526 (3.84835e-10% change) linmin: converged after 7 iterations. iteration 32: trace = 6.301845550825478 (1.27705e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 6.301845550822882 (4.11966e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.492796, 0.529981, 0.69937, 0.826669, 0.843482, 1.09673, 1.14811, 1.17183 elapsed time for k point: 0.24123024940490723 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.317078115565954 (0.146594% change) linmin: converged after 5 iterations. iteration 2: trace = 6.311483197730214 (0.0886074% change) linmin: converged after 4 iterations. iteration 3: trace = 6.310056572930605 (0.0226062% change) linmin: converged after 8 iterations. iteration 4: trace = 6.309473827662909 (0.00923561% change) linmin: converged after 4 iterations. iteration 5: trace = 6.309287208923827 (0.0029578% change) linmin: converged after 4 iterations. iteration 6: trace = 6.3092292265646 (0.000919004% change) linmin: converged after 3 iterations. iteration 7: trace = 6.309202973780172 (0.000416102% change) linmin: converged after 5 iterations. iteration 8: trace = 6.309194406599303 (0.000135789% change) linmin: converged after 3 iterations. iteration 9: trace = 6.309190349198362 (6.43094e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.30918737596305 (4.71255e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.30918556745539 (2.86647e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.309184755087376 (1.2876e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.309184446575687 (4.88988e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.3091843520256 (1.49861e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.309184300579695 (8.15413e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 6.30918425767296 (6.80068e-07% change) linmin: converged after 28 iterations. iteration 17: trace = 6.30918419871607 (9.34461e-07% change) linmin: converged after 13 iterations. iteration 18: trace = 6.309184133927531 (1.02689e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 6.30918409968129 (5.428e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 6.309184084106096 (2.46865e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 6.309184076911389 (1.14035e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 6.309184072438057 (7.09019e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 6.309184068130108 (6.82806e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 6.30918406321269 (7.79406e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 6.309184056450055 (1.07187e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.309184051362617 (8.06354e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 6.309184048652941 (4.29481e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 6.309184047348843 (2.06698e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.309184046823375 (8.32863e-09% change) linmin: converged after 5 iterations. iteration 30: trace = 6.309184046545847 (4.39878e-09% change) linmin: converged after 5 iterations. iteration 31: trace = 6.309184046419697 (1.99948e-09% change) linmin: converged after 7 iterations. iteration 32: trace = 6.309184046373008 (7.40014e-10% change) linmin: converged after 11 iterations. iteration 33: trace = 6.309184046358341 (2.32463e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.309184046353368 (7.88202e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.510012, 0.541662, 0.661523, 0.832379, 0.841947, 1.10264, 1.15222, 1.1717 elapsed time for k point: 0.15059661865234375 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.32572780193767 (0.146427% change) linmin: converged after 5 iterations. iteration 2: trace = 6.320285470991051 (0.0860719% change) linmin: converged after 4 iterations. iteration 3: trace = 6.319074550849309 (0.0191611% change) linmin: converged after 4 iterations. iteration 4: trace = 6.318622553858084 (0.00715315% change) linmin: converged after 4 iterations. iteration 5: trace = 6.318479349131765 (0.00226642% change) linmin: converged after 4 iterations. iteration 6: trace = 6.31842028843446 (0.000934734% change) linmin: converged after 3 iterations. iteration 7: trace = 6.318374042077405 (0.000731932% change) linmin: converged after 7 iterations. iteration 8: trace = 6.318349508622388 (0.000388288% change) linmin: converged after 5 iterations. iteration 9: trace = 6.318335411525507 (0.000223114% change) linmin: converged after 5 iterations. iteration 10: trace = 6.318328246609449 (0.000113399% change) linmin: converged after 5 iterations. iteration 11: trace = 6.31832558476924 (4.21289e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.318324523262488 (1.68004e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 6.318324118772354 (6.40186e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 6.318323928381334 (3.01332e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 6.318323717793441 (3.33297e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.318323450132179 (4.23627e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 6.318323137017827 (4.95566e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.318322959162462 (2.81491e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 6.318322903495078 (8.81047e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 6.318322888313309 (2.40282e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 6.318322883797162 (7.1477e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.318322882181396 (2.55727e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.31832288139463 (1.24521e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.318322880964165 (6.81297e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.318322880605027 (5.68407e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 6.3183228802096 (6.25843e-09% change) linmin: converged after 30 iterations. iteration 27: trace = 6.318322879598529 (9.6714e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 6.318322878497079 (1.74326e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 6.318322877602431 (1.41596e-08% change) linmin: converged after 3 iterations. iteration 30: trace = 6.318322877083818 (8.20808e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.318322876807065 (4.38018e-09% change) linmin: converged after 4 iterations. iteration 32: trace = 6.318322876668269 (2.19672e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 6.318322876613934 (8.59962e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 6.318322876598199 (2.49037e-10% change) linmin: converged after 6 iterations. iteration 35: trace = 6.318322876593966 (6.69966e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.532564, 0.557306, 0.617759, 0.836201, 0.840118, 1.10684, 1.15685, 1.1722 elapsed time for k point: 0.23295950889587402 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.337373568352012 (0.139364% change) linmin: converged after 4 iterations. iteration 2: trace = 6.332424094185279 (0.0781303% change) linmin: converged after 4 iterations. iteration 3: trace = 6.331354309828022 (0.0168952% change) linmin: converged after 4 iterations. iteration 4: trace = 6.330940591280346 (0.00653465% change) linmin: converged after 4 iterations. iteration 5: trace = 6.330763210202731 (0.00280185% change) linmin: converged after 5 iterations. iteration 6: trace = 6.330643969808116 (0.00188353% change) linmin: converged after 16 iterations. iteration 7: trace = 6.330526348142682 (0.00185799% change) linmin: converged after 17 iterations. iteration 8: trace = 6.330475545201162 (0.000802511% change) linmin: converged after 5 iterations. iteration 9: trace = 6.330456130107853 (0.000306693% change) linmin: converged after 4 iterations. iteration 10: trace = 6.330448155868348 (0.000125966% change) linmin: converged after 3 iterations. iteration 11: trace = 6.330444917505769 (5.11554e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 6.330441968361909 (4.65867e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.330438826387945 (4.96328e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 6.330433859958823 (7.84532e-05% change) large trace change predicted (0.000173114%) linmin: converged after 4 iterations. iteration 15: trace = 6.330422902016024 (0.0001731% change) linmin: converged after 4 iterations. iteration 16: trace = 6.330408494653135 (0.00022759% change) linmin: converged after 5 iterations. iteration 17: trace = 6.330393091584735 (0.000243319% change) linmin: converged after 5 iterations. iteration 18: trace = 6.330384367767492 (0.000137809% change) linmin: converged after 7 iterations. iteration 19: trace = 6.330379302030503 (8.00226e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 6.330373672659224 (8.89263e-05% change) large trace change predicted (0.000227718%) linmin: converged after 5 iterations. iteration 21: trace = 6.33035925724891 (0.000227718% change) large trace change predicted (0.000970824%) linmin: converged after 4 iterations. iteration 22: trace = 6.330298260639156 (0.000963561% change) large trace change predicted (0.00347969%) linmin: converged after 6 iterations. iteration 23: trace = 6.330100731410994 (0.00312043% change) linmin: converged after 4 iterations. iteration 24: trace = 6.329824561188028 (0.0043629% change) linmin: converged after 5 iterations. iteration 25: trace = 6.329581572606542 (0.00383886% change) linmin: converged after 5 iterations. iteration 26: trace = 6.329442198108147 (0.00220198% change) linmin: converged after 4 iterations. iteration 27: trace = 6.329368644701107 (0.00116209% change) linmin: converged after 4 iterations. iteration 28: trace = 6.329332395258531 (0.00057272% change) linmin: converged after 3 iterations. iteration 29: trace = 6.32932199067881 (0.000164387% change) linmin: converged after 3 iterations. iteration 30: trace = 6.329319097534167 (4.57102e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.329318299781549 (1.26041e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.329317993705504 (4.83585e-06% change) linmin: converged after 22 iterations. iteration 33: trace = 6.329317822762581 (2.70081e-06% change) linmin: converged after 5 iterations. iteration 34: trace = 6.329317711511705 (1.75771e-06% change) linmin: converged after 2 iterations. iteration 35: trace = 6.329317634102344 (1.22303e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 6.329317560447074 (1.16372e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 6.329317473969666 (1.3663e-06% change) linmin: converged after 17 iterations. iteration 38: trace = 6.329317376070318 (1.54676e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.329317304082064 (1.13738e-06% change) linmin: converged after 2 iterations. iteration 40: trace = 6.329317262529589 (6.56508e-07% change) linmin: converged after 21 iterations. iteration 41: trace = 6.329317230455207 (5.06759e-07% change) linmin: converged after 8 iterations. iteration 42: trace = 6.329317195172118 (5.57455e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 6.329317162831521 (5.10965e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.329317144688077 (2.86657e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 6.329317134236727 (1.65126e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.32931712562798 (1.36014e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 6.329317115427865 (1.61157e-07% change) linmin: converged after 6 iterations. iteration 48: trace = 6.329317101087421 (2.26572e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 6.329317075124321 (4.10204e-07% change) large trace change predicted (8.61034e-07%) linmin: converged after 8 iterations. iteration 50: trace = 6.329317020625254 (8.61058e-07% change) large trace change predicted (2.13468e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.329316885504944 (2.13483e-06% change) large trace change predicted (4.29494e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.329316613618884 (4.29566e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 6.329316332917143 (4.43495e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.329316191094067 (2.24073e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.329316143739841 (7.48173e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 6.329316126937146 (2.65474e-07% change) linmin: converged after 4 iterations. iteration 57: trace = 6.329316120029702 (1.09134e-07% change) linmin: converged after 3 iterations. iteration 58: trace = 6.329316116866351 (4.99794e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.32931611541861 (2.28736e-08% change) linmin: converged after 4 iterations. iteration 60: trace = 6.3293161147542 (1.04973e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 6.329316114257213 (7.85215e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.329316113577727 (1.07355e-08% change) linmin: converged after 3 iterations. iteration 63: trace = 6.329316112502813 (1.69831e-08% change) linmin: converged after 6 iterations. iteration 64: trace = 6.329316111378638 (1.77614e-08% change) linmin: converged after 21 iterations. iteration 65: trace = 6.329316110808146 (9.01349e-09% change) linmin: converged after 9 iterations. iteration 66: trace = 6.32931611061163 (3.10486e-09% change) linmin: converged after 4 iterations. iteration 67: trace = 6.329316110525236 (1.36498e-09% change) linmin: converged after 4 iterations. iteration 68: trace = 6.329316110484315 (6.46532e-10% change) linmin: converged after 4 iterations. iteration 69: trace = 6.329316110466078 (2.88135e-10% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.32931611045862 (1.17819e-10% change) linmin: converged after 11 iterations. iteration 71: trace = 6.329316110451563 (1.11504e-10% change) linmin: converged after 6 iterations. iteration 72: trace = 6.329316110445914 (8.92484e-11% change) Finished solving for bands 1 to 8 after 72 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.553509, 0.57602, 0.576336, 0.838242, 0.838556, 1.10835, 1.15937, 1.17498 elapsed time for k point: 0.5279068946838379 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.392697535565415 (0.520011% change) linmin: converged after 5 iterations. iteration 2: trace = 6.375242987596106 (0.273412% change) linmin: converged after 4 iterations. iteration 3: trace = 6.370715448082573 (0.0710427% change) linmin: converged after 4 iterations. iteration 4: trace = 6.368209752404007 (0.0393392% change) linmin: converged after 4 iterations. iteration 5: trace = 6.366423965129089 (0.0280462% change) linmin: converged after 4 iterations. iteration 6: trace = 6.365418549486456 (0.0157937% change) linmin: converged after 4 iterations. iteration 7: trace = 6.364762760708476 (0.0103029% change) linmin: converged after 6 iterations. iteration 8: trace = 6.364505250070454 (0.00404596% change) linmin: converged after 4 iterations. iteration 9: trace = 6.36431449875261 (0.00299716% change) linmin: converged after 4 iterations. iteration 10: trace = 6.36418777225265 (0.00199122% change) linmin: converged after 5 iterations. iteration 11: trace = 6.364105952509211 (0.00128564% change) large trace change predicted (0.00305009%) linmin: converged after 10 iterations. iteration 12: trace = 6.363911985081294 (0.00304788% change) near maximum in trace linmin: converged after 8 iterations. iteration 13: trace = 6.361499503685843 (0.037916% change) linmin: converged after 7 iterations. iteration 14: trace = 6.36027135349748 (0.0193078% change) linmin: converged after 6 iterations. iteration 15: trace = 6.359373322047383 (0.0141204% change) linmin: converged after 4 iterations. iteration 16: trace = 6.35855732958079 (0.0128322% change) linmin: converged after 5 iterations. iteration 17: trace = 6.357758965533478 (0.0125565% change) linmin: converged after 4 iterations. iteration 18: trace = 6.356950351663157 (0.0127193% change) linmin: converged after 4 iterations. iteration 19: trace = 6.356112163121015 (0.0131863% change) linmin: converged after 4 iterations. iteration 20: trace = 6.355221027897733 (0.0140211% change) linmin: converged after 5 iterations. iteration 21: trace = 6.354246279692957 (0.0153389% change) linmin: converged after 7 iterations. iteration 22: trace = 6.353159856642265 (0.0170991% change) linmin: converged after 5 iterations. iteration 23: trace = 6.351960899259382 (0.0188736% change) linmin: converged after 6 iterations. iteration 24: trace = 6.350699438134904 (0.0198614% change) linmin: converged after 7 iterations. iteration 25: trace = 6.349458077477557 (0.0195487% change) linmin: converged after 5 iterations. iteration 26: trace = 6.348291605894328 (0.0183729% change) linmin: converged after 4 iterations. iteration 27: trace = 6.34719789341557 (0.0172299% change) linmin: converged after 4 iterations. iteration 28: trace = 6.346140664692705 (0.016658% change) linmin: converged after 4 iterations. iteration 29: trace = 6.345081444270764 (0.0166922% change) linmin: converged after 6 iterations. iteration 30: trace = 6.343999288666795 (0.0170565% change) linmin: converged after 8 iterations. iteration 31: trace = 6.342898002201816 (0.017361% change) linmin: converged after 5 iterations. iteration 32: trace = 6.341800697171118 (0.0173012% change) linmin: converged after 7 iterations. iteration 33: trace = 6.340734205414506 (0.0168183% change) linmin: converged after 5 iterations. iteration 34: trace = 6.33971368572808 (0.016096% change) linmin: converged after 5 iterations. iteration 35: trace = 6.338736988232581 (0.0154072% change) linmin: converged after 6 iterations. iteration 36: trace = 6.337788381038601 (0.0149664% change) linmin: converged after 6 iterations. iteration 37: trace = 6.336845738992868 (0.0148745% change) linmin: converged after 6 iterations. iteration 38: trace = 6.335887564106003 (0.0151218% change) linmin: converged after 5 iterations. iteration 39: trace = 6.334899803119841 (0.0155912% change) linmin: converged after 5 iterations. iteration 40: trace = 6.333883398871754 (0.0160458% change) linmin: converged after 7 iterations. iteration 41: trace = 6.332860786517116 (0.0161464% change) linmin: converged after 5 iterations. iteration 42: trace = 6.331873878864389 (0.0155851% change) linmin: converged after 5 iterations. iteration 43: trace = 6.330966881367777 (0.0143253% change) linmin: converged after 5 iterations. iteration 44: trace = 6.330164357925478 (0.012677% change) linmin: converged after 4 iterations. iteration 45: trace = 6.329464426416618 (0.0110577% change) linmin: converged after 4 iterations. iteration 46: trace = 6.328847888420542 (0.00974124% change) linmin: converged after 5 iterations. iteration 47: trace = 6.32828988372113 (0.00881723% change) linmin: converged after 4 iterations. iteration 48: trace = 6.327766921089158 (0.00826423% change) linmin: converged after 5 iterations. iteration 49: trace = 6.327259864958589 (0.00801351% change) linmin: converged after 4 iterations. iteration 50: trace = 6.326755103975183 (0.00797788% change) linmin: converged after 4 iterations. iteration 51: trace = 6.326245117196401 (0.00806112% change) linmin: converged after 6 iterations. iteration 52: trace = 6.325728461773253 (0.00816719% change) linmin: converged after 4 iterations. iteration 53: trace = 6.325208588756622 (0.00821873% change) linmin: converged after 4 iterations. iteration 54: trace = 6.324691250215436 (0.00817933% change) linmin: converged after 4 iterations. iteration 55: trace = 6.324181374306374 (0.008062% change) linmin: converged after 6 iterations. iteration 56: trace = 6.323680907360477 (0.00791386% change) linmin: converged after 4 iterations. iteration 57: trace = 6.323188395290025 (0.00778868% change) linmin: converged after 5 iterations. iteration 58: trace = 6.322699858896263 (0.00772641% change) linmin: converged after 4 iterations. iteration 59: trace = 6.322210009625386 (0.00774777% change) linmin: converged after 4 iterations. iteration 60: trace = 6.321713097538986 (0.00786009% change) linmin: converged after 4 iterations. iteration 61: trace = 6.321203130511794 (0.00806724% change) linmin: converged after 4 iterations. iteration 62: trace = 6.320673555720772 (0.0083781% change) linmin: converged after 5 iterations. iteration 63: trace = 6.320116720804852 (0.00881013% change) linmin: converged after 6 iterations. iteration 64: trace = 6.319523559448256 (0.00938573% change) linmin: converged after 5 iterations. iteration 65: trace = 6.318884020578164 (0.0101206% change) linmin: converged after 6 iterations. iteration 66: trace = 6.318188804775419 (0.0110028% change) linmin: converged after 7 iterations. iteration 67: trace = 6.317432799520505 (0.0119663% change) linmin: converged after 7 iterations. iteration 68: trace = 6.316619714792608 (0.0128713% change) linmin: converged after 5 iterations. iteration 69: trace = 6.315765584707393 (0.0135229% change) resetting CG direction... large trace change predicted (0.188897%) linmin: converged after 4 iterations. iteration 70: trace = 6.303775215283887 (0.190029% change) linmin: converged after 4 iterations. iteration 71: trace = 6.30036008266891 (0.0541907% change) linmin: converged after 4 iterations. iteration 72: trace = 6.299320271825109 (0.0165054% change) linmin: converged after 4 iterations. iteration 73: trace = 6.299061190191026 (0.00411294% change) linmin: converged after 5 iterations. iteration 74: trace = 6.298946775233155 (0.0018164% change) linmin: converged after 7 iterations. iteration 75: trace = 6.298877894192596 (0.00109354% change) linmin: converged after 6 iterations. iteration 76: trace = 6.298793454107139 (0.00134057% change) linmin: converged after 3 iterations. iteration 77: trace = 6.298725861962364 (0.0010731% change) linmin: converged after 5 iterations. iteration 78: trace = 6.29868294733083 (0.000681325% change) linmin: converged after 4 iterations. iteration 79: trace = 6.298642217591597 (0.000646641% change) linmin: converged after 13 iterations. iteration 80: trace = 6.298616556646929 (0.000407405% change) linmin: converged after 4 iterations. iteration 81: trace = 6.298604027893521 (0.000198913% change) linmin: converged after 3 iterations. iteration 82: trace = 6.298598787140605 (8.3205e-05% change) linmin: converged after 10 iterations. iteration 83: trace = 6.298597356051435 (2.27208e-05% change) linmin: converged after 2 iterations. iteration 84: trace = 6.298596365659966 (1.5724e-05% change) linmin: converged after 5 iterations. iteration 85: trace = 6.298595760213274 (9.61241e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.298595315608592 (7.05879e-06% change) linmin: converged after 12 iterations. iteration 87: trace = 6.298595099404392 (3.43258e-06% change) linmin: converged after 13 iterations. iteration 88: trace = 6.298595020053137 (1.25982e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.298594974722617 (7.19693e-07% change) linmin: converged after 6 iterations. iteration 90: trace = 6.298594929358501 (7.20226e-07% change) linmin: converged after 13 iterations. iteration 91: trace = 6.298594895494825 (5.37639e-07% change) linmin: converged after 4 iterations. iteration 92: trace = 6.298594877349233 (2.8809e-07% change) linmin: converged after 4 iterations. iteration 93: trace = 6.298594868821886 (1.35385e-07% change) linmin: converged after 4 iterations. iteration 94: trace = 6.298594864524706 (6.82244e-08% change) linmin: converged after 4 iterations. iteration 95: trace = 6.298594862453187 (3.28886e-08% change) linmin: converged after 4 iterations. iteration 96: trace = 6.298594861905778 (8.69096e-09% change) linmin: converged after 5 iterations. iteration 97: trace = 6.298594861732249 (2.75505e-09% change) linmin: converged after 3 iterations. iteration 98: trace = 6.298594861685728 (7.38593e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.298594861667213 (2.93954e-10% change) linmin: converged after 4 iterations. iteration 100: trace = 6.298594861658028 (1.45821e-10% change) linmin: converged after 4 iterations. iteration 101: trace = 6.298594861654125 (6.19607e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.461593, 0.620594, 0.628556, 0.836746, 0.840202, 1.10228, 1.15102, 1.16591 elapsed time for k point: 0.726243257522583 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.3065639871607 (0.575322% change) linmin: converged after 5 iterations. iteration 2: trace = 6.289554233350304 (0.270079% change) linmin: converged after 3 iterations. iteration 3: trace = 6.285540394320863 (0.0638379% change) linmin: converged after 4 iterations. iteration 4: trace = 6.283792833049898 (0.0278067% change) linmin: converged after 4 iterations. iteration 5: trace = 6.282960247915502 (0.0132506% change) linmin: converged after 4 iterations. iteration 6: trace = 6.282722744170227 (0.0037802% change) linmin: converged after 4 iterations. iteration 7: trace = 6.282637992351809 (0.00134898% change) linmin: converged after 3 iterations. iteration 8: trace = 6.282617671090315 (0.000323452% change) linmin: converged after 3 iterations. iteration 9: trace = 6.282612484408521 (8.25561e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 6.282610016564448 (3.92805e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 6.282609109449679 (1.44385e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.282608783832864 (5.18283e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 6.282608658505957 (1.99482e-06% change) linmin: converged after 5 iterations. iteration 14: trace = 6.282608607802806 (8.0704e-07% change) linmin: converged after 10 iterations. iteration 15: trace = 6.282608579576478 (4.49277e-07% change) linmin: converged after 10 iterations. iteration 16: trace = 6.282608566246182 (2.12178e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 6.282608558481405 (1.23592e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 6.282608555131906 (5.33138e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 6.282608553958246 (1.86811e-08% change) linmin: converged after 9 iterations. iteration 20: trace = 6.282608553518157 (7.00487e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.282608553300057 (3.47149e-09% change) linmin: converged after 10 iterations. iteration 22: trace = 6.282608553188997 (1.76774e-09% change) linmin: converged after 10 iterations. iteration 23: trace = 6.282608553137478 (8.20022e-10% change) linmin: converged after 7 iterations. iteration 24: trace = 6.282608553118513 (3.01869e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 6.282608553113039 (8.71269e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.350141, 0.666671, 0.698454, 0.841979, 0.843343, 1.08599, 1.12874, 1.16367 elapsed time for k point: 0.10590863227844238 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.31797506784811 (0.565733% change) linmin: converged after 4 iterations. iteration 2: trace = 6.302973191720346 (0.23773% change) linmin: converged after 4 iterations. iteration 3: trace = 6.299244438394495 (0.0591761% change) linmin: converged after 3 iterations. iteration 4: trace = 6.297766221419135 (0.0234693% change) linmin: converged after 4 iterations. iteration 5: trace = 6.297098741183586 (0.0105992% change) linmin: converged after 3 iterations. iteration 6: trace = 6.296927857601 (0.00271372% change) linmin: converged after 4 iterations. iteration 7: trace = 6.296859980232965 (0.00107795% change) linmin: converged after 5 iterations. iteration 8: trace = 6.296840480940125 (0.000309667% change) linmin: converged after 3 iterations. iteration 9: trace = 6.296835118565341 (8.51598e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 6.296832556246112 (4.06922e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 6.296831447029666 (1.76155e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 6.296831011555438 (6.91577e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 6.296830859588107 (2.41339e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 6.296830816318607 (6.87163e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 6.296830799715155 (2.63679e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 6.296830794163726 (8.81623e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 6.296830791811519 (3.73554e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 6.296830790795286 (1.61388e-08% change) linmin: converged after 23 iterations. iteration 19: trace = 6.296830790487538 (4.88734e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 6.296830790381245 (1.68805e-09% change) linmin: converged after 5 iterations. iteration 21: trace = 6.296830790332558 (7.73189e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 6.29683079030516 (4.35116e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 6.296830790293803 (1.80363e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 6.296830790289759 (6.42208e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.234979, 0.703081, 0.756416, 0.858378, 0.861716, 1.0625, 1.09087, 1.1734 elapsed time for k point: 0.09683394432067871 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.373209112052805 (0.562684% change) linmin: converged after 10 iterations. iteration 2: trace = 6.36031616157883 (0.202504% change) linmin: converged after 4 iterations. iteration 3: trace = 6.357504912907773 (0.0442096% change) linmin: converged after 3 iterations. iteration 4: trace = 6.356585097729216 (0.0144692% change) linmin: converged after 3 iterations. iteration 5: trace = 6.35623283030905 (0.00554193% change) linmin: converged after 15 iterations. iteration 6: trace = 6.356142086163289 (0.00142765% change) linmin: converged after 3 iterations. iteration 7: trace = 6.356092254702443 (0.000783992% change) linmin: converged after 3 iterations. iteration 8: trace = 6.356067894803361 (0.000383253% change) linmin: converged after 3 iterations. iteration 9: trace = 6.356057959423483 (0.000156313% change) linmin: converged after 3 iterations. iteration 10: trace = 6.356053442445841 (7.10657e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 6.356051425803924 (3.17279e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 6.35605045638662 (1.52519e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 6.356050073440102 (6.02491e-06% change) linmin: converged after 21 iterations. iteration 14: trace = 6.356049967376739 (1.6687e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 6.356049919529158 (7.52788e-07% change) linmin: converged after 13 iterations. iteration 16: trace = 6.35604990138872 (2.85404e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 6.35604989273501 (1.36149e-07% change) linmin: converged after 6 iterations. iteration 18: trace = 6.356049887839807 (7.70164e-08% change) linmin: converged after 16 iterations. iteration 19: trace = 6.356049885346999 (3.92194e-08% change) linmin: converged after 3 iterations. iteration 20: trace = 6.356049883857857 (2.34287e-08% change) linmin: converged after 5 iterations. iteration 21: trace = 6.356049883361589 (7.8078e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 6.356049883209118 (2.39883e-09% change) linmin: converged after 4 iterations. iteration 23: trace = 6.356049883160938 (7.5802e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 6.356049883141617 (3.03971e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 6.356049883134011 (1.19671e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 6.356049883130346 (5.76557e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117907, 0.722467, 0.782825, 0.895483, 0.896999, 1.03533, 1.04486, 1.19885 elapsed time for k point: 0.12493348121643066 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.484406768763917 (0.576704% change) linmin: converged after 5 iterations. iteration 2: trace = 6.471730173735265 (0.195685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.469268167064959 (0.0380497% change) linmin: converged after 4 iterations. iteration 4: trace = 6.468362479663552 (0.0140008% change) linmin: converged after 4 iterations. iteration 5: trace = 6.468081016952982 (0.00435147% change) linmin: converged after 4 iterations. iteration 6: trace = 6.468019507054105 (0.000950981% change) linmin: converged after 4 iterations. iteration 7: trace = 6.467983140882891 (0.000562247% change) linmin: converged after 6 iterations. iteration 8: trace = 6.467960050007157 (0.000357003% change) linmin: converged after 4 iterations. iteration 9: trace = 6.467927172636435 (0.000508313% change) linmin: converged after 13 iterations. iteration 10: trace = 6.467898270580527 (0.000446853% change) linmin: converged after 6 iterations. iteration 11: trace = 6.467871940836138 (0.000407084% change) linmin: converged after 5 iterations. iteration 12: trace = 6.467850751198391 (0.000327614% change) linmin: converged after 6 iterations. iteration 13: trace = 6.46783573451671 (0.000232174% change) linmin: converged after 5 iterations. iteration 14: trace = 6.467812737194985 (0.000355565% change) large trace change predicted (0.000926251%) linmin: converged after 3 iterations. iteration 15: trace = 6.467752878038727 (0.000925497% change) large trace change predicted (0.00336724%) linmin: converged after 6 iterations. iteration 16: trace = 6.46753799228928 (0.00332247% change) large trace change predicted (0.0076428%) linmin: converged after 6 iterations. iteration 17: trace = 6.467054240854877 (0.00747996% change) linmin: converged after 6 iterations. iteration 18: trace = 6.466680782267455 (0.00577495% change) linmin: converged after 4 iterations. iteration 19: trace = 6.466506550440609 (0.00269434% change) linmin: converged after 3 iterations. iteration 20: trace = 6.466437876282423 (0.001062% change) linmin: converged after 3 iterations. iteration 21: trace = 6.466417072559437 (0.000321719% change) linmin: converged after 3 iterations. iteration 22: trace = 6.466410918626344 (9.51676e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 6.466409279496674 (2.53484e-05% change) linmin: converged after 3 iterations. iteration 24: trace = 6.466408508486158 (1.19233e-05% change) linmin: converged after 6 iterations. iteration 25: trace = 6.466407804621172 (1.08849e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 6.466407055854146 (1.15793e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.466406660048698 (6.12095e-06% change) linmin: converged after 22 iterations. iteration 28: trace = 6.466406474881694 (2.86352e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 6.466406394954898 (1.23603e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 6.46640636439996 (4.72518e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 6.466406353483286 (1.68821e-07% change) linmin: converged after 3 iterations. iteration 32: trace = 6.466406348127093 (8.28311e-08% change) linmin: converged after 2 iterations. iteration 33: trace = 6.466406341479104 (1.02808e-07% change) large trace change predicted (2.07292e-07%) linmin: converged after 2 iterations. iteration 34: trace = 6.466406328074751 (2.07292e-07% change) large trace change predicted (4.92859e-07%) linmin: converged after 3 iterations. iteration 35: trace = 6.466406296204647 (4.92857e-07% change) large trace change predicted (1.36404e-06%) linmin: converged after 5 iterations. iteration 36: trace = 6.466406207999212 (1.36406e-06% change) large trace change predicted (3.01548e-06%) linmin: converged after 5 iterations. iteration 37: trace = 6.46640601299846 (3.0156e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 6.466405814967287 (3.06246e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 6.466405733805704 (1.25513e-06% change) linmin: converged after 4 iterations. iteration 40: trace = 6.466405707718298 (4.0343e-07% change) linmin: converged after 4 iterations. iteration 41: trace = 6.466405697281509 (1.614e-07% change) linmin: converged after 13 iterations. iteration 42: trace = 6.466405689115234 (1.26288e-07% change) linmin: converged after 2 iterations. iteration 43: trace = 6.466405679855011 (1.43205e-07% change) linmin: converged after 3 iterations. iteration 44: trace = 6.46640567344509 (9.91265e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 6.46640566942723 (6.21344e-08% change) linmin: converged after 2 iterations. iteration 46: trace = 6.466405667382235 (3.16249e-08% change) linmin: converged after 2 iterations. iteration 47: trace = 6.466405666183872 (1.85321e-08% change) linmin: converged after 2 iterations. iteration 48: trace = 6.466405665511933 (1.03912e-08% change) linmin: converged after 3 iterations. iteration 49: trace = 6.466405664657936 (1.32067e-08% change) large trace change predicted (3.62453e-08%) linmin: converged after 19 iterations. iteration 50: trace = 6.46640566231416 (3.62454e-08% change) large trace change predicted (1.23507e-07%) linmin: converged after 2 iterations. iteration 51: trace = 6.466405654327716 (1.23507e-07% change) large trace change predicted (2.49094e-07%) linmin: converged after 2 iterations. iteration 52: trace = 6.466405638220102 (2.49097e-07% change) linmin: converged after 15 iterations. iteration 53: trace = 6.46640561690482 (3.29631e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 6.466405589348653 (4.26143e-07% change) linmin: converged after 17 iterations. iteration 55: trace = 6.466405565244271 (3.72763e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.466405553442849 (1.82504e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.466405548893452 (7.03543e-08% change) linmin: converged after 3 iterations. iteration 58: trace = 6.466405546942659 (3.01681e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.466405546067048 (1.35409e-08% change) linmin: converged after 8 iterations. iteration 60: trace = 6.466405545765806 (4.65856e-09% change) linmin: converged after 5 iterations. iteration 61: trace = 6.466405545618406 (2.27948e-09% change) linmin: converged after 2 iterations. iteration 62: trace = 6.466405545535219 (1.28645e-09% change) linmin: converged after 6 iterations. iteration 63: trace = 6.466405545465581 (1.07691e-09% change) linmin: converged after 3 iterations. iteration 64: trace = 6.466405545408771 (8.78549e-10% change) linmin: converged after 6 iterations. iteration 65: trace = 6.466405545374389 (5.31692e-10% change) linmin: converged after 3 iterations. iteration 66: trace = 6.46640554535702 (2.68607e-10% change) linmin: converged after 3 iterations. iteration 67: trace = 6.466405545351025 (9.27131e-11% change) Finished solving for bands 2 to 8 after 67 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.727845, 0.788088, 0.920961, 0.922085, 1.01687, 1.01845, 1.24334 .elapsed time for k point: 0.4476010799407959 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5535093489972575 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.5203183590840947 at Vector3<0.0, 0.5, 0.0> to 0.7278447515454924 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5763358596513126 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7880878930618369 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.8161730293674935 at Vector3<0.0, 0.5, 0.0> to 0.9209611432140956 at Vector3<0.0, 0.0, 0.0> Band 5 range: 0.8385562359606974 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.922084942589803 at Vector3<0.0, 0.0, 0.0> Band 6 range: 1.0168656683915518 at Vector3<0.0, 0.0, 0.0> to 1.1083536673418322 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 1.0184507253059405 at Vector3<0.0, 0.0, 0.0> to 1.159370227370717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 1.1636719050364357 at Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> to 1.2433411839871045 at Vector3<0.0, 0.0, 0.0> Gap from band 3 (0.7880878930618369) to band 4 (0.8161730293674935), 3.501317761094284% Gap from band 5 (0.922084942589803) to band 6 (1.0168656683915518), 9.776497169649693% Gap from band 7 (1.159370227370717) to band 8 (1.1636719050364357), 0.37034865667815786% total elapsed time for run: 5.063503980636597 done /tmp/meepakjAzV/test_honey_rods-0: 7.92s /tmp/meepakjAzV/test_line_defect-0 ======================== Initializing eigensolver data Computing 12 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 224 x 1. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (6.06218, -3.5, 0) (0, 0, 1) Cell volume = 6.06218 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.0824786, -0.142857, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-3,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 9 object nodes (vs. 8 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 6 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.10000000000000005, 0.3500000000000001, 0.0> Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Vector3<0.5000000000000002, 1.7500000000000004, 0.0> elapsed time for initialization: 0.01992034912109375 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12 Solving for bands 2 to 7... near maximum in trace linmin: converged after 13 iterations. iteration 1: trace = 1.196766755531371 (199.611% change) linmin: converged after 9 iterations. iteration 2: trace = 0.3074317174581362 (118.247% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2844524853025028 (7.76477% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2812371807197147 (1.13677% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2805321379624338 (0.251008% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2804620372438204 (0.0249916% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2804497808436873 (0.00437017% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2804487080528694 (0.000382526% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2804485287729162 (6.39261e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2804485117540451 (6.06845e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2804485091314656 (9.35138e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 0.2804485089210546 (7.50266e-08% change) linmin: converged after 8 iterations. iteration 13: trace = 0.2804485089016316 (6.92566e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2804485088974183 (1.50234e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.280448508897056 (1.29213e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2804485088969927 (2.25648e-11% change) Finished solving for bands 2 to 7 after 16 iterations. Solving for bands 8 to 12... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.347589494002308 (197.909% change) linmin: converged after 8 iterations. iteration 2: trace = 1.508143754927554 (112.007% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308852038496591 (14.1492% change) linmin: converged after 6 iterations. iteration 4: trace = 1.247987481329314 (4.76092% change) linmin: converged after 6 iterations. iteration 5: trace = 1.226166609693982 (1.76391% change) linmin: converged after 4 iterations. iteration 6: trace = 1.220205207652076 (0.487367% change) linmin: converged after 5 iterations. iteration 7: trace = 1.218622738880585 (0.129773% change) linmin: converged after 5 iterations. iteration 8: trace = 1.217964901842141 (0.0539966% change) linmin: converged after 4 iterations. iteration 9: trace = 1.217640474833321 (0.0266404% change) linmin: converged after 5 iterations. iteration 10: trace = 1.217144671073517 (0.0407267% change) large trace change predicted (0.10801%) linmin: converged after 6 iterations. iteration 11: trace = 1.215926777209398 (0.100112% change) linmin: converged after 5 iterations. iteration 12: trace = 1.21494306055586 (0.0809354% change) linmin: converged after 4 iterations. iteration 13: trace = 1.214347551188201 (0.0490274% change) linmin: converged after 4 iterations. iteration 14: trace = 1.213914363082433 (0.0356789% change) linmin: converged after 4 iterations. iteration 15: trace = 1.213500547607448 (0.0340952% change) linmin: converged after 4 iterations. iteration 16: trace = 1.212959722484555 (0.0445773% change) linmin: converged after 4 iterations. iteration 17: trace = 1.212519538880448 (0.0362966% change) linmin: converged after 4 iterations. iteration 18: trace = 1.212248726511907 (0.0223372% change) linmin: converged after 3 iterations. iteration 19: trace = 1.212140684769636 (0.0089129% change) linmin: converged after 3 iterations. iteration 20: trace = 1.21209965011612 (0.00338536% change) linmin: converged after 3 iterations. iteration 21: trace = 1.212045003915321 (0.00450849% change) linmin: converged after 4 iterations. iteration 22: trace = 1.211966020314501 (0.00651677% change) linmin: converged after 3 iterations. iteration 23: trace = 1.211907378935235 (0.00483865% change) linmin: converged after 3 iterations. iteration 24: trace = 1.211861221840146 (0.0038087% change) linmin: converged after 3 iterations. iteration 25: trace = 1.211829202049092 (0.00264223% change) linmin: converged after 3 iterations. iteration 26: trace = 1.21180954111795 (0.00162243% change) linmin: converged after 3 iterations. iteration 27: trace = 1.211778805378119 (0.00253638% change) linmin: converged after 3 iterations. iteration 28: trace = 1.211738643161125 (0.00331437% change) linmin: converged after 3 iterations. iteration 29: trace = 1.211698946648681 (0.00327605% change) linmin: converged after 3 iterations. iteration 30: trace = 1.211675291898183 (0.00195222% change) linmin: converged after 3 iterations. iteration 31: trace = 1.211662280999265 (0.0010738% change) linmin: converged after 3 iterations. iteration 32: trace = 1.211643382935975 (0.00155969% change) linmin: converged after 4 iterations. iteration 33: trace = 1.21162659993771 (0.00138515% change) linmin: converged after 6 iterations. iteration 34: trace = 1.21161407808561 (0.00103348% change) linmin: converged after 9 iterations. iteration 35: trace = 1.211602453572232 (0.000959428% change) linmin: converged after 3 iterations. iteration 36: trace = 1.211598303616196 (0.000342519% change) linmin: converged after 3 iterations. iteration 37: trace = 1.211596448980703 (0.000153074% change) linmin: converged after 4 iterations. iteration 38: trace = 1.211594613228861 (0.000151515% change) linmin: converged after 3 iterations. iteration 39: trace = 1.211592534410096 (0.000171577% change) linmin: converged after 4 iterations. iteration 40: trace = 1.211590947234652 (0.000130999% change) linmin: converged after 3 iterations. iteration 41: trace = 1.211590215638785 (6.03831e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 1.211589891729974 (2.67342e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 1.211589741312141 (1.24149e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 1.211589683153448 (4.8002e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.211589639031559 (3.64165e-06% change) linmin: converged after 4 iterations. iteration 46: trace = 1.211589594611466 (3.66627e-06% change) linmin: converged after 2 iterations. iteration 47: trace = 1.211589568398538 (2.16352e-06% change) linmin: converged after 2 iterations. iteration 48: trace = 1.211589556366786 (9.93055e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 1.211589549124783 (5.97727e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.211589544167536 (4.09152e-07% change) linmin: converged after 2 iterations. iteration 51: trace = 1.211589539501808 (3.85091e-07% change) linmin: converged after 2 iterations. iteration 52: trace = 1.211589533344353 (5.08213e-07% change) linmin: converged after 2 iterations. iteration 53: trace = 1.2115895245724 (7.24004e-07% change) linmin: converged after 2 iterations. iteration 54: trace = 1.211589518683372 (4.86058e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 1.211589515923037 (2.27828e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 1.211589512935396 (2.46589e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 1.211589509905531 (2.50074e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 1.211589507242201 (2.19821e-07% change) linmin: converged after 2 iterations. iteration 59: trace = 1.211589504813927 (2.00421e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 1.211589503458421 (1.11878e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 1.211589502828578 (5.19848e-08% change) linmin: converged after 24 iterations. iteration 62: trace = 1.211589502438186 (3.22214e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 1.211589502003778 (3.58544e-08% change) linmin: converged after 4 iterations. iteration 64: trace = 1.211589501370286 (5.2286e-08% change) linmin: converged after 3 iterations. iteration 65: trace = 1.211589501031969 (2.79234e-08% change) linmin: converged after 2 iterations. iteration 66: trace = 1.211589500878294 (1.26838e-08% change) linmin: converged after 18 iterations. iteration 67: trace = 1.211589500792745 (7.06086e-09% change) linmin: converged after 2 iterations. iteration 68: trace = 1.211589500767784 (2.06018e-09% change) linmin: converged after 3 iterations. iteration 69: trace = 1.211589500755964 (9.75586e-10% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 1.211589500751477 (3.7031e-10% change) linmin: converged after 3 iterations. iteration 71: trace = 1.211589500746379 (4.20745e-10% change) linmin: converged after 3 iterations. iteration 72: trace = 1.21158950073995 (5.3065e-10% change) linmin: converged after 4 iterations. iteration 73: trace = 1.211589500735595 (3.59424e-10% change) linmin: converged after 15 iterations. iteration 74: trace = 1.211589500732076 (2.90515e-10% change) linmin: converged after 3 iterations. iteration 75: trace = 1.211589500730084 (1.64409e-10% change) linmin: converged after 11 iterations. iteration 76: trace = 1.211589500729295 (6.50599e-11% change) Finished solving for bands 8 to 12 after 76 iterations. Finished k-point with 39.6667 mean iterations/band. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.100888, 0.110544, 0.191438, 0.209077, 0.252769, 0.337337, 0.453613, 0.461172, 0.496485, 0.499488, 0.545123 elapsed time for k point: 4.255338668823242 Fixing e-field (band 1) phase by 1 + -0i; max ampl. = 0 Fixing e-field (band 2) phase by 0.934778 + -0.355231i; max ampl. = 0.36443 Fixing e-field (band 3) phase by 0.41377 + -0.910381i; max ampl. = 0.363694 Fixing e-field (band 4) phase by -0.042412 + 0.9991i; max ampl. = 0.40619 Fixing e-field (band 5) phase by -0.829535 + -0.558455i; max ampl. = 0.458526 Fixing e-field (band 6) phase by -0.636619 + -0.771179i; max ampl. = 0.461015 Fixing e-field (band 7) phase by -0.696974 + 0.717096i; max ampl. = 0.87849 Fixing e-field (band 8) phase by -0.801423 + 0.598098i; max ampl. = 0.582082 Fixing e-field (band 9) phase by 0.502154 + -0.864778i; max ampl. = 0.503748 Fixing e-field (band 10) phase by 0.833535 + -0.552467i; max ampl. = 0.514872 Fixing e-field (band 11) phase by 0.701379 + -0.712788i; max ampl. = 0.525048 Fixing e-field (band 12) phase by -0.711256 + 0.702933i; max ampl. = 0.596428 Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b01.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b02.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b03.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b04.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b05.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b06.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b07.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b08.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b09.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b10.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b11.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k01.b12.z.tm.h5... solve_kpoint (0.1,0.35,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.1859754481091571 (4.37841% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1858559071650498 (0.0642985% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1858523719592242 (0.00190214% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1858522794619532 (4.97692e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1858522774470825 (1.08412e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1858522773945271 (2.8278e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1858522773930405 (7.99891e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1858522773929406 (5.37482e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.339583206387591 (1.2622% change) linmin: converged after 5 iterations. iteration 2: trace = 1.33063762646289 (0.670025% change) linmin: converged after 5 iterations. iteration 3: trace = 1.326359143522661 (0.322054% change) linmin: converged after 5 iterations. iteration 4: trace = 1.324059417054412 (0.173537% change) linmin: converged after 5 iterations. iteration 5: trace = 1.322335659994526 (0.130272% change) linmin: converged after 4 iterations. iteration 6: trace = 1.321900842351137 (0.032888% change) linmin: converged after 4 iterations. iteration 7: trace = 1.321789582191756 (0.00841703% change) linmin: converged after 4 iterations. iteration 8: trace = 1.321750554891683 (0.00295265% change) linmin: converged after 4 iterations. iteration 9: trace = 1.321739521847602 (0.000834733% change) linmin: converged after 7 iterations. iteration 10: trace = 1.321725729409737 (0.00104351% change) linmin: converged after 5 iterations. iteration 11: trace = 1.321717827626583 (0.00059784% change) linmin: converged after 5 iterations. iteration 12: trace = 1.32171560796717 (0.000167938% change) linmin: converged after 5 iterations. iteration 13: trace = 1.321714313062121 (9.79716e-05% change) linmin: converged after 6 iterations. iteration 14: trace = 1.321713670509397 (4.86151e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.32171316783871 (3.80317e-05% change) linmin: converged after 5 iterations. iteration 16: trace = 1.321712690347692 (3.61267e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 1.321712534925773 (1.17591e-05% change) linmin: converged after 5 iterations. iteration 18: trace = 1.32171245068789 (6.37339e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 1.321712392022149 (4.43862e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 1.321712300288242 (6.94053e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 1.321712123338643 (1.33879e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 1.321712019292177 (7.8721e-06% change) linmin: converged after 5 iterations. iteration 23: trace = 1.321711840507829 (1.35267e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 1.321711646564235 (1.46737e-05% change) linmin: converged after 5 iterations. iteration 25: trace = 1.321711536307098 (8.342e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 1.32171148827869 (3.6338e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 1.321711471300697 (1.28455e-06% change) linmin: converged after 4 iterations. iteration 28: trace = 1.321711467138154 (3.14936e-07% change) linmin: converged after 2 iterations. iteration 29: trace = 1.321711466116505 (7.72975e-08% change) linmin: converged after 2 iterations. iteration 30: trace = 1.321711465723412 (2.97412e-08% change) linmin: converged after 2 iterations. iteration 31: trace = 1.321711465580959 (1.07779e-08% change) linmin: converged after 3 iterations. iteration 32: trace = 1.321711465510915 (5.29947e-09% change) linmin: converged after 2 iterations. iteration 33: trace = 1.321711465480889 (2.27175e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 1.321711465470897 (7.55973e-10% change) linmin: converged after 2 iterations. iteration 35: trace = 1.321711465466495 (3.33089e-10% change) linmin: converged after 8 iterations. iteration 36: trace = 1.32171146546497 (1.15398e-10% change) linmin: converged after 4 iterations. iteration 37: trace = 1.321711465463821 (8.68885e-11% change) Finished solving for bands 7 to 12 after 37 iterations. Finished k-point with 22.5 mean iterations/band. tmfreqs:, 2, 0.1, 0.35, 0, 0.1, 0.0643286, 0.117273, 0.128193, 0.198551, 0.216266, 0.255606, 0.34632, 0.457251, 0.464418, 0.494572, 0.497876, 0.533413 elapsed time for k point: 2.864046096801758 Fixing e-field (band 1) phase by -1 + 2.71695e-09i; max ampl. = 0.279221 Fixing e-field (band 2) phase by 0.066234 + 0.997804i; max ampl. = 0.368961 Fixing e-field (band 3) phase by 1 + -3.08291e-07i; max ampl. = 0.357513 Fixing e-field (band 4) phase by -0.00791593 + -0.999969i; max ampl. = 0.410959 Fixing e-field (band 5) phase by -1 + 1.15887e-06i; max ampl. = 0.464942 Fixing e-field (band 6) phase by 0.000719579 + 1i; max ampl. = 0.463983 Fixing e-field (band 7) phase by 1 + 1.05398e-08i; max ampl. = 0.893105 Fixing e-field (band 8) phase by -1 + 4.80899e-06i; max ampl. = 0.585113 Fixing e-field (band 9) phase by 2.4463e-05 + -1i; max ampl. = 0.51118 Fixing e-field (band 10) phase by 1 + 8.06478e-05i; max ampl. = 0.50134 Fixing e-field (band 11) phase by 2.03316e-05 + 1i; max ampl. = 0.518018 Fixing e-field (band 12) phase by -0.000314817 + -1i; max ampl. = 0.377816 Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b01.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b02.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b03.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b04.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b05.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b06.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b07.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b08.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b09.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b10.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b11.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k02.b12.z.tm.h5... solve_kpoint (0.2,0.7,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.2388580307782937 (6.66113% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2385221713841857 (0.140709% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2385114100977178 (0.00451175% change) linmin: converged after 2 iterations. iteration 4: trace = 0.2385111473622856 (0.000110156% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2385111400807255 (3.05292e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2385111399219119 (6.65854e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2385111399179209 (1.6733e-09% change) linmin: converged after 16 iterations. iteration 8: trace = 0.2385111399178055 (4.83867e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.328636670014931 (1.75254% change) linmin: converged after 5 iterations. iteration 2: trace = 1.320923404607837 (0.58223% change) linmin: converged after 5 iterations. iteration 3: trace = 1.318308076151315 (0.198189% change) linmin: converged after 4 iterations. iteration 4: trace = 1.317956425802998 (0.0266779% change) linmin: converged after 4 iterations. iteration 5: trace = 1.317882727769513 (0.005592% change) linmin: converged after 5 iterations. iteration 6: trace = 1.317830321381881 (0.00397664% change) linmin: converged after 21 iterations. iteration 7: trace = 1.317816402663161 (0.00105619% change) linmin: converged after 6 iterations. iteration 8: trace = 1.317806033886662 (0.000786818% change) linmin: converged after 4 iterations. iteration 9: trace = 1.317799113944952 (0.000525112% change) linmin: converged after 5 iterations. iteration 10: trace = 1.317797254181904 (0.000141127% change) linmin: converged after 5 iterations. iteration 11: trace = 1.317796412532883 (6.38679e-05% change) linmin: converged after 11 iterations. iteration 12: trace = 1.317796108435783 (2.30762e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 1.317796055321211 (4.03056e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 1.317796024477034 (2.34059e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 1.317796013257453 (8.5139e-07% change) linmin: converged after 23 iterations. iteration 16: trace = 1.317796004201295 (6.8722e-07% change) large trace change predicted (1.71406e-06%) linmin: converged after 3 iterations. iteration 17: trace = 1.317795981613608 (1.71405e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.317795944624388 (2.8069e-06% change) large trace change predicted (6.37234e-06%) linmin: converged after 8 iterations. iteration 19: trace = 1.317795860651614 (6.37221e-06% change) linmin: converged after 4 iterations. iteration 20: trace = 1.317795777380738 (6.31895e-06% change) linmin: converged after 32 iterations. iteration 21: trace = 1.317795748000609 (2.22949e-06% change) linmin: converged after 5 iterations. iteration 22: trace = 1.317795733123444 (1.12894e-06% change) linmin: converged after 6 iterations. iteration 23: trace = 1.317795727441454 (4.31174e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.317795724798878 (2.0053e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.317795723846541 (7.22674e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 1.317795723608524 (1.80617e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.317795723503125 (7.99815e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 1.31779572343886 (4.87671e-09% change) linmin: converged after 2 iterations. iteration 29: trace = 1.317795723419225 (1.48995e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 1.317795723411641 (5.75501e-10% change) linmin: converged after 2 iterations. iteration 31: trace = 1.317795723409147 (1.89273e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.317795723408442 (5.35315e-11% change) Finished solving for bands 7 to 12 after 32 iterations. Finished k-point with 20 mean iterations/band. tmfreqs:, 3, 0.2, 0.7, 0, 0.2, 0.12511, 0.154647, 0.167476, 0.216994, 0.234024, 0.262757, 0.372785, 0.466507, 0.471319, 0.486474, 0.490761, 0.511423 elapsed time for k point: 1.9849910736083984 Fixing e-field (band 1) phase by 1 + -6.69684e-16i; max ampl. = 0.316626 Fixing e-field (band 2) phase by 1.41132e-11 + 1i; max ampl. = 0.383063 Fixing e-field (band 3) phase by 1 + -1.03294e-14i; max ampl. = 0.3761 Fixing e-field (band 4) phase by -8.77229e-10 + -1i; max ampl. = 0.424925 Fixing e-field (band 5) phase by 1 + 1.3145e-13i; max ampl. = 0.480327 Fixing e-field (band 6) phase by 4.91261e-10 + -1i; max ampl. = 0.472091 Fixing e-field (band 7) phase by 1 + -1.06369e-12i; max ampl. = 0.919529 Fixing e-field (band 8) phase by -1 + -1.64856e-11i; max ampl. = 0.593898 Fixing e-field (band 9) phase by 1.07569e-07 + 1i; max ampl. = 0.521242 Fixing e-field (band 10) phase by -1 + 3.83354e-10i; max ampl. = 0.454743 Fixing e-field (band 11) phase by 4.75025e-08 + 1i; max ampl. = 0.493615 Fixing e-field (band 12) phase by -1.939e-06 + -1i; max ampl. = 0.473136 Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b01.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b02.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b03.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b04.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b05.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b06.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b07.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b08.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b09.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b10.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b11.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k03.b12.z.tm.h5... solve_kpoint (0.3,1.05,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.3105199359398265 (8.73919% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3098465068863809 (0.217107% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3098220243218767 (0.00790183% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3098213546274155 (0.000216155% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3098213374848054 (5.53306e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3098213371379585 (1.11951e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3098213371286766 (2.99587e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3098213371284358 (7.77246e-11% change) Finished solving for bands 1 to 6 after 8 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.321059189060651 (2.52198% change) linmin: converged after 5 iterations. iteration 2: trace = 1.312228993706477 (0.670659% change) linmin: converged after 5 iterations. iteration 3: trace = 1.308669436105089 (0.271629% change) linmin: converged after 5 iterations. iteration 4: trace = 1.307528168194402 (0.0872463% change) linmin: converged after 4 iterations. iteration 5: trace = 1.307108376361817 (0.0321109% change) linmin: converged after 4 iterations. iteration 6: trace = 1.306967612816993 (0.0107697% change) linmin: converged after 4 iterations. iteration 7: trace = 1.30692104687625 (0.00356296% change) linmin: converged after 8 iterations. iteration 8: trace = 1.306903167954464 (0.00136803% change) linmin: converged after 4 iterations. iteration 9: trace = 1.306896582410012 (0.000503906% change) linmin: converged after 5 iterations. iteration 10: trace = 1.306894468922138 (0.000161718% change) linmin: converged after 5 iterations. iteration 11: trace = 1.306893729338946 (5.65909e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 1.306893106680217 (4.76442e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 1.306892656103195 (3.4477e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 1.306892370720252 (2.18368e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 1.306892063537916 (2.35048e-05% change) linmin: converged after 9 iterations. iteration 16: trace = 1.306891774918915 (2.20844e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.306891306571564 (3.58367e-05% change) large trace change predicted (0.0001439%) linmin: converged after 4 iterations. iteration 18: trace = 1.306889428974656 (0.000143669% change) large trace change predicted (0.000647089%) linmin: converged after 6 iterations. iteration 19: trace = 1.306881342171474 (0.000618784% change) near maximum in trace linmin: converged after 11 iterations. iteration 20: trace = 1.306841864904205 (0.00302077% change) linmin: converged after 6 iterations. iteration 21: trace = 1.306814317233515 (0.00210798% change) linmin: converged after 6 iterations. iteration 22: trace = 1.306780215571889 (0.00260956% change) linmin: converged after 9 iterations. iteration 23: trace = 1.306736702748669 (0.00332983% change) linmin: converged after 7 iterations. iteration 24: trace = 1.306707761476099 (0.0022148% change) linmin: converged after 6 iterations. iteration 25: trace = 1.306694949828091 (0.000980457% change) linmin: converged after 4 iterations. iteration 26: trace = 1.30668757171687 (0.000564641% change) linmin: converged after 5 iterations. iteration 27: trace = 1.306683169654682 (0.000336888% change) linmin: converged after 4 iterations. iteration 28: trace = 1.306680460975612 (0.000207294% change) linmin: converged after 4 iterations. iteration 29: trace = 1.306678613935068 (0.000141354% change) linmin: converged after 3 iterations. iteration 30: trace = 1.306677292065234 (0.000101163% change) linmin: converged after 6 iterations. iteration 31: trace = 1.306676263755384 (7.86966e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.306675403278145 (6.58524e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 1.306674672970374 (5.58905e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 1.306674108884319 (4.31696e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 1.306673737709854 (2.84061e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 1.306673513940721 (1.71251e-05% change) linmin: converged after 4 iterations. iteration 37: trace = 1.306673362527367 (1.15877e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 1.306673228425955 (1.02628e-05% change) linmin: converged after 5 iterations. iteration 39: trace = 1.306673109717042 (9.08482e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 1.306673026782846 (6.34697e-06% change) linmin: converged after 4 iterations. iteration 41: trace = 1.306672971288233 (4.24702e-06% change) linmin: converged after 6 iterations. iteration 42: trace = 1.306672931203616 (3.06769e-06% change) linmin: converged after 9 iterations. iteration 43: trace = 1.306672900421495 (2.35576e-06% change) linmin: converged after 3 iterations. iteration 44: trace = 1.306672873955922 (2.02542e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 1.306672849955027 (1.83679e-06% change) linmin: converged after 2 iterations. iteration 46: trace = 1.306672828035896 (1.67748e-06% change) linmin: converged after 21 iterations. iteration 47: trace = 1.306672808497717 (1.49526e-06% change) linmin: converged after 9 iterations. iteration 48: trace = 1.306672792920187 (1.19215e-06% change) linmin: converged after 2 iterations. iteration 49: trace = 1.30667278073184 (9.32777e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.306672769623505 (8.50124e-07% change) linmin: converged after 5 iterations. iteration 51: trace = 1.30667275827252 (8.68694e-07% change) linmin: converged after 8 iterations. iteration 52: trace = 1.306672746664947 (8.88331e-07% change) linmin: converged after 7 iterations. iteration 53: trace = 1.306672734231314 (9.51549e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 1.306672719747275 (1.10847e-06% change) linmin: converged after 8 iterations. iteration 55: trace = 1.306672703451232 (1.24714e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 1.306672685743829 (1.35515e-06% change) linmin: converged after 5 iterations. iteration 57: trace = 1.306672664172661 (1.65085e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 1.306672633622723 (2.33799e-06% change) linmin: converged after 13 iterations. iteration 59: trace = 1.306672591449286 (3.22754e-06% change) linmin: converged after 15 iterations. iteration 60: trace = 1.306672545946202 (3.48236e-06% change) linmin: converged after 6 iterations. iteration 61: trace = 1.306672503494355 (3.24885e-06% change) linmin: converged after 4 iterations. iteration 62: trace = 1.306672460331878 (3.30324e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 1.306672416045949 (3.38921e-06% change) linmin: converged after 4 iterations. iteration 64: trace = 1.306672371448651 (3.41304e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 1.306672322019688 (3.78281e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 1.306672266767598 (4.22846e-06% change) linmin: converged after 3 iterations. iteration 67: trace = 1.306672213731368 (4.05888e-06% change) linmin: converged after 9 iterations. iteration 68: trace = 1.306672169731838 (3.3673e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.306672130569276 (2.99712e-06% change) resetting CG direction... large trace change predicted (6.25477e-06%) linmin: converged after 5 iterations. iteration 70: trace = 1.306672048840626 (6.25472e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.306672012693929 (2.76632e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 1.306672000098197 (9.63955e-07% change) linmin: converged after 2 iterations. iteration 73: trace = 1.306671995811054 (3.28096e-07% change) linmin: converged after 2 iterations. iteration 74: trace = 1.306671993004206 (2.14809e-07% change) linmin: converged after 2 iterations. iteration 75: trace = 1.306671990402459 (1.99112e-07% change) linmin: converged after 2 iterations. iteration 76: trace = 1.306671989145292 (9.62114e-08% change) linmin: converged after 3 iterations. iteration 77: trace = 1.306671988469853 (5.16916e-08% change) linmin: converged after 2 iterations. iteration 78: trace = 1.306671987976323 (3.777e-08% change) linmin: converged after 3 iterations. iteration 79: trace = 1.306671987242599 (5.61521e-08% change) large trace change predicted (1.12943e-07%) linmin: converged after 3 iterations. iteration 80: trace = 1.306671985766801 (1.12943e-07% change) large trace change predicted (2.49995e-07%) linmin: converged after 3 iterations. iteration 81: trace = 1.306671982500196 (2.49994e-07% change) large trace change predicted (5.4192e-07%) linmin: converged after 13 iterations. iteration 82: trace = 1.306671975419139 (5.41915e-07% change) linmin: converged after 3 iterations. iteration 83: trace = 1.306671966776745 (6.61405e-07% change) linmin: converged after 24 iterations. iteration 84: trace = 1.306671961713351 (3.87503e-07% change) linmin: converged after 8 iterations. iteration 85: trace = 1.306671959299024 (1.84769e-07% change) linmin: converged after 3 iterations. iteration 86: trace = 1.306671956817022 (1.89948e-07% change) linmin: converged after 2 iterations. iteration 87: trace = 1.30667195512776 (1.2928e-07% change) linmin: converged after 4 iterations. iteration 88: trace = 1.306671954377645 (5.74065e-08% change) linmin: converged after 11 iterations. iteration 89: trace = 1.306671954035937 (2.6151e-08% change) linmin: converged after 2 iterations. iteration 90: trace = 1.306671953899616 (1.04327e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.306671953836784 (4.80857e-09% change) linmin: converged after 2 iterations. iteration 92: trace = 1.306671953798474 (2.93184e-09% change) linmin: converged after 2 iterations. iteration 93: trace = 1.306671953790935 (5.76951e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 1.306671953788971 (1.50355e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 1.306671953788115 (6.55086e-11% change) Finished solving for bands 7 to 12 after 95 iterations. Finished k-point with 51.5 mean iterations/band. tmfreqs:, 4, 0.3, 1.05, 0, 0.3, 0.179731, 0.197126, 0.209614, 0.239781, 0.253491, 0.270127, 0.412201, 0.46839, 0.470281, 0.47669, 0.478853, 0.489567 elapsed time for k point: 5.059925556182861 Fixing e-field (band 1) phase by 1 + -8.43945e-17i; max ampl. = 0.362092 Fixing e-field (band 2) phase by -7.36728e-12 + -1i; max ampl. = 0.407764 Fixing e-field (band 3) phase by -1 + -1.0166e-15i; max ampl. = 0.420136 Fixing e-field (band 4) phase by 7.50961e-12 + 1i; max ampl. = 0.446788 Fixing e-field (band 5) phase by 1 + 2.94128e-15i; max ampl. = 0.496332 Fixing e-field (band 6) phase by -9.24666e-12 + 1i; max ampl. = 0.481878 Fixing e-field (band 7) phase by 1 + 2.60727e-13i; max ampl. = 0.896831 Fixing e-field (band 8) phase by 1.09737e-10 + -1i; max ampl. = 0.458802 Fixing e-field (band 9) phase by -1 + -1.96696e-11i; max ampl. = 0.495105 Fixing e-field (band 10) phase by 1 + -2.47558e-12i; max ampl. = 0.483552 Fixing e-field (band 11) phase by -9.51712e-12 + 1i; max ampl. = 0.523494 Fixing e-field (band 12) phase by -1 + -7.63476e-11i; max ampl. = 0.423458 Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b01.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b02.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b03.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b04.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b05.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b06.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b07.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b08.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b09.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b10.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b11.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k04.b12.z.tm.h5... solve_kpoint (0.4,1.4,0): Solving for bands 1 to 6... linmin: converged after 6 iterations. iteration 1: trace = 0.3762985016867429 (10.9545% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3750342117371676 (0.336546% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3749816076769493 (0.0140275% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3749802749522109 (0.000355411% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3749802409984997 (9.0548e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3749802404009222 (1.59362e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.374980240382886 (4.8099e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3749802403822894 (1.59096e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3749802403822776 (3.1532e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.298011037461321 (3.05087% change) linmin: converged after 5 iterations. iteration 2: trace = 1.290256309342349 (0.599222% change) linmin: converged after 5 iterations. iteration 3: trace = 1.288297984129212 (0.151893% change) linmin: converged after 4 iterations. iteration 4: trace = 1.2878772301764 (0.032665% change) linmin: converged after 4 iterations. iteration 5: trace = 1.287688339079885 (0.0146679% change) linmin: converged after 4 iterations. iteration 6: trace = 1.287483849723766 (0.0158816% change) large trace change predicted (0.0565887%) linmin: converged after 7 iterations. iteration 7: trace = 1.28685287243285 (0.0490206% change) large trace change predicted (1.10957%) linmin: converged after 8 iterations. iteration 8: trace = 1.285207985881854 (0.127904% change) linmin: converged after 5 iterations. iteration 9: trace = 1.283531768705405 (0.130509% change) linmin: converged after 9 iterations. iteration 10: trace = 1.280537500864398 (0.233556% change) linmin: converged after 8 iterations. iteration 11: trace = 1.277572726481115 (0.231794% change) linmin: converged after 7 iterations. iteration 12: trace = 1.27563734746484 (0.151604% change) linmin: converged after 7 iterations. iteration 13: trace = 1.274202245367086 (0.112564% change) linmin: converged after 7 iterations. iteration 14: trace = 1.273022593346836 (0.0926225% change) linmin: converged after 8 iterations. iteration 15: trace = 1.272080215540049 (0.0740542% change) linmin: converged after 5 iterations. iteration 16: trace = 1.271347536034896 (0.0576135% change) linmin: converged after 7 iterations. iteration 17: trace = 1.270883530901358 (0.0365038% change) linmin: converged after 4 iterations. iteration 18: trace = 1.270618409224059 (0.0208634% change) linmin: converged after 4 iterations. iteration 19: trace = 1.270378371119911 (0.0188932% change) linmin: converged after 6 iterations. iteration 20: trace = 1.270104933606682 (0.0215264% change) linmin: converged after 6 iterations. iteration 21: trace = 1.269895617099838 (0.0164816% change) linmin: converged after 5 iterations. iteration 22: trace = 1.269782882629827 (0.00887785% change) linmin: converged after 3 iterations. iteration 23: trace = 1.269719750601914 (0.004972% change) linmin: converged after 6 iterations. iteration 24: trace = 1.269676766106199 (0.00338541% change) linmin: converged after 7 iterations. iteration 25: trace = 1.269642283512467 (0.00271589% change) linmin: converged after 5 iterations. iteration 26: trace = 1.269619087274533 (0.00182701% change) linmin: converged after 4 iterations. iteration 27: trace = 1.269607472587991 (0.000914821% change) linmin: converged after 8 iterations. iteration 28: trace = 1.269600759456913 (0.000528758% change) linmin: converged after 5 iterations. iteration 29: trace = 1.269595125006646 (0.000443798% change) linmin: converged after 9 iterations. iteration 30: trace = 1.269590376565027 (0.000374013% change) linmin: converged after 5 iterations. iteration 31: trace = 1.269587297957729 (0.000242489% change) linmin: converged after 6 iterations. iteration 32: trace = 1.269585545816303 (0.000138009% change) linmin: converged after 5 iterations. iteration 33: trace = 1.269584427090121 (8.81175e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.269583608532466 (6.44745e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 1.269583043842748 (4.44784e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 1.269582710117841 (2.62862e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 1.269582517553401 (1.51675e-05% change) linmin: converged after 4 iterations. iteration 38: trace = 1.269582385116398 (1.04315e-05% change) linmin: converged after 11 iterations. iteration 39: trace = 1.269582283098437 (8.03555e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 1.269582214888568 (5.37262e-06% change) linmin: converged after 3 iterations. iteration 41: trace = 1.269582174660363 (3.16862e-06% change) linmin: converged after 12 iterations. iteration 42: trace = 1.269582148208323 (2.08352e-06% change) linmin: converged after 4 iterations. iteration 43: trace = 1.269582127622132 (1.62149e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 1.269582111947448 (1.23463e-06% change) linmin: converged after 2 iterations. iteration 45: trace = 1.269582102245771 (7.64163e-07% change) linmin: converged after 4 iterations. iteration 46: trace = 1.26958209678698 (4.29968e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 1.269582093349534 (2.70754e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 1.269582091147356 (1.73457e-07% change) linmin: converged after 20 iterations. iteration 49: trace = 1.269582089806961 (1.05578e-07% change) linmin: converged after 2 iterations. iteration 50: trace = 1.269582088919776 (6.98801e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 1.269582088275121 (5.07769e-08% change) linmin: converged after 3 iterations. iteration 52: trace = 1.269582087760951 (4.04992e-08% change) linmin: converged after 12 iterations. iteration 53: trace = 1.269582087362723 (3.13669e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 1.269582087136648 (1.78071e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 1.269582087016091 (9.49576e-09% change) linmin: converged after 9 iterations. iteration 56: trace = 1.269582086921614 (7.44162e-09% change) linmin: converged after 9 iterations. iteration 57: trace = 1.269582086848892 (5.72801e-09% change) linmin: converged after 3 iterations. iteration 58: trace = 1.269582086810662 (3.01122e-09% change) linmin: converged after 6 iterations. iteration 59: trace = 1.269582086792638 (1.4197e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 1.269582086781325 (8.91094e-10% change) linmin: converged after 3 iterations. iteration 61: trace = 1.269582086771858 (7.45616e-10% change) linmin: converged after 3 iterations. iteration 62: trace = 1.269582086763084 (6.91153e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 1.269582086756867 (4.89638e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 1.269582086753405 (2.72733e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 1.269582086751192 (1.74266e-10% change) linmin: converged after 9 iterations. iteration 66: trace = 1.269582086749747 (1.13857e-10% change) linmin: converged after 4 iterations. iteration 67: trace = 1.269582086748959 (6.2053e-11% change) Finished solving for bands 7 to 12 after 67 iterations. Finished k-point with 38 mean iterations/band. tmfreqs:, 5, 0.4, 1.4, 0, 0.4, 0.225148, 0.234786, 0.243351, 0.257936, 0.264707, 0.270821, 0.441523, 0.454532, 0.455044, 0.464121, 0.471551, 0.472447 elapsed time for k point: 3.4758894443511963 Fixing e-field (band 1) phase by 1 + -1.73164e-16i; max ampl. = 0.407996 Fixing e-field (band 2) phase by -3.3667e-12 + -1i; max ampl. = 0.441101 Fixing e-field (band 3) phase by 1 + 2.01153e-15i; max ampl. = 0.464954 Fixing e-field (band 4) phase by 4.86528e-12 + 1i; max ampl. = 0.46974 Fixing e-field (band 5) phase by 1 + 6.49208e-15i; max ampl. = 0.505749 Fixing e-field (band 6) phase by -1.59948e-11 + 1i; max ampl. = 0.483913 Fixing e-field (band 7) phase by 1 + 3.73227e-14i; max ampl. = 0.643734 Fixing e-field (band 8) phase by 4.02684e-12 + 1i; max ampl. = 0.465166 Fixing e-field (band 9) phase by -1 + 6.87358e-14i; max ampl. = 0.43823 Fixing e-field (band 10) phase by 1.98569e-13 + 1i; max ampl. = 0.518507 Fixing e-field (band 11) phase by -1 + -3.00146e-12i; max ampl. = 0.471405 Fixing e-field (band 12) phase by 1.05977e-13 + -1i; max ampl. = 0.443866 Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b01.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b02.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b03.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b04.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b05.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b06.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b07.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b08.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b09.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b10.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b11.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k05.b12.z.tm.h5... solve_kpoint (0.5,1.75,0): Solving for bands 1 to 6... linmin: converged after 5 iterations. iteration 1: trace = 0.4044979732169223 (13.7656% change) linmin: converged after 4 iterations. iteration 2: trace = 0.4025034611955529 (0.494302% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4024212890120757 (0.0204174% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4024194033576305 (0.000468578% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4024193544035438 (1.21649e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4024193537759778 (1.55948e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4024193537536845 (5.5398e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4024193537529454 (1.83672e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4024193537529305 (3.71068e-12% change) Finished solving for bands 1 to 6 after 9 iterations. Solving for bands 7 to 12... linmin: converged after 5 iterations. iteration 1: trace = 1.246579896079849 (3.2355% change) linmin: converged after 5 iterations. iteration 2: trace = 1.241420423793717 (0.414749% change) linmin: converged after 5 iterations. iteration 3: trace = 1.240323895101215 (0.0883676% change) linmin: converged after 4 iterations. iteration 4: trace = 1.240074667273184 (0.0200958% change) linmin: converged after 4 iterations. iteration 5: trace = 1.24004995523007 (0.00199281% change) linmin: converged after 4 iterations. iteration 6: trace = 1.240046276550807 (0.000296656% change) linmin: converged after 13 iterations. iteration 7: trace = 1.240045445498693 (6.70179e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 1.240045287286182 (1.27586e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 1.240045263300231 (1.93428e-06% change) linmin: converged after 29 iterations. iteration 10: trace = 1.240045258080157 (4.20958e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 1.240045257186147 (7.2095e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 1.240045257084782 (8.17431e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 1.2400452570647 (1.61945e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 1.240045257061235 (2.7939e-10% change) linmin: converged after 5 iterations. iteration 15: trace = 1.24004525706096 (2.21857e-11% change) Finished solving for bands 7 to 12 after 15 iterations. Finished k-point with 12 mean iterations/band. tmfreqs:, 6, 0.5, 1.75, 0, 0.5, 0.25635, 0.256978, 0.258342, 0.259571, 0.260868, 0.261719, 0.442498, 0.448263, 0.451495, 0.456403, 0.462907, 0.46569 elapsed time for k point: 1.4722087383270264 Fixing e-field (band 1) phase by 1 + -2.00047e-16i; max ampl. = 0.422882 Fixing e-field (band 2) phase by 3.32784e-12 + -1i; max ampl. = 0.466091 Fixing e-field (band 3) phase by 1 + -1.40064e-17i; max ampl. = 0.462198 Fixing e-field (band 4) phase by -2.01924e-11 + -1i; max ampl. = 0.471227 Fixing e-field (band 5) phase by 1 + -5.35018e-15i; max ampl. = 0.472309 Fixing e-field (band 6) phase by 2.80754e-11 + 1i; max ampl. = 0.476607 Fixing e-field (band 7) phase by 1 + 9.0298e-16i; max ampl. = 0.600013 Fixing e-field (band 8) phase by 1.76087e-12 + -1i; max ampl. = 0.468917 Fixing e-field (band 9) phase by 1 + 1.7165e-16i; max ampl. = 0.508553 Fixing e-field (band 10) phase by -5.29416e-13 + 1i; max ampl. = 0.472551 Fixing e-field (band 11) phase by 1 + -1.64417e-14i; max ampl. = 0.507635 Fixing e-field (band 12) phase by 3.04706e-13 + 1i; max ampl. = 0.465525 ..Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b01.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b02.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b03.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b04.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b05.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b06.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b07.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b08.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b09.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b10.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b11.z.tm.h5... Outputting fields to /tmp/meepakjAzV/test_line_defect-0-e.k06.b12.z.tm.h5... Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2563501053544447 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 2 range: 0.10088801014542215 at Vector3<0.0, 0.0, 0.0> to 0.25697767129278226 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 3 range: 0.11054374616924004 at Vector3<0.0, 0.0, 0.0> to 0.25834187991797375 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 4 range: 0.19143758098896266 at Vector3<0.0, 0.0, 0.0> to 0.25957071278987937 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 5 range: 0.20907741437429694 at Vector3<0.0, 0.0, 0.0> to 0.26470695742810507 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 6 range: 0.25276899480758896 at Vector3<0.0, 0.0, 0.0> to 0.27082126366760045 at Vector3<0.4000000000000002, 1.4000000000000004, 0.0> Band 7 range: 0.33733710311255866 at Vector3<0.0, 0.0, 0.0> to 0.442497664916943 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> Band 8 range: 0.4482627765538221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.4683903271760484 at Vector3<0.30000000000000016, 1.0500000000000003, 0.0> Band 9 range: 0.4514954029529221 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.47131948362277304 at Vector3<0.2000000000000001, 0.7000000000000002, 0.0> Band 10 range: 0.45640253677801607 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49648508869253005 at Vector3<0.0, 0.0, 0.0> Band 11 range: 0.46290665804314135 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.49948776938324185 at Vector3<0.0, 0.0, 0.0> Band 12 range: 0.4656904639721246 at Vector3<0.5000000000000002, 1.7500000000000004, 0.0> to 0.5451229846661458 at Vector3<0.0, 0.0, 0.0> Gap from band 6 (0.27082126366760045) to band 7 (0.33733710311255866), 21.8745126527225% Gap from band 7 (0.442497664916943) to band 8 (0.4482627765538221), 1.2944247113983016% total elapsed time for run: 19.514795541763306 done /tmp/meepakjAzV/test_line_defect-0: 19.55s /tmp/meepakjAzV/test_list_split-0 ======================== /tmp/meepakjAzV/test_list_split-0: 0.00s /tmp/meepakjAzV/test_load_and_save_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013709068298339844 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2934427261352539 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5534358024597168 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.10073280334472656 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.09197497367858887 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10052132606506348 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15682506561279297 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11733579635620117 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10045480728149414 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08785533905029297 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08344507217407227 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08255481719970703 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06533193588256836 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07638382911682129 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10606193542480469 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12253308296203613 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2779543399810791 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.4194469451904297 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001718282699584961 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.15366744995117188 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.43129968643188477 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.10681629180908203 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08670926094055176 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10297322273254395 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.16167283058166504 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.12159109115600586 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.13662338256835938 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.09718990325927734 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08414936065673828 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.08491683006286621 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06892776489257812 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07662010192871094 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1090242862701416 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.12796401977539062 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.28257226943969727 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.23649263381958 done /tmp/meepakjAzV/test_load_and_save_eigenvectors-0: 4.66s /tmp/meepakjAzV/test_maximize_first_tm_gap-0 ======================== Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.252786, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009396076202392578 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4898474331528383 (198.799% change) linmin: converged after 7 iterations. iteration 2: trace = 0.2634327276606197 (60.1143% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2256354401058421 (15.4569% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2118795772470987 (6.28818% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2093240519911654 (1.21344% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2091127254372625 (0.101008% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2090852588528238 (0.0131357% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2090837640052219 (0.000714949% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2090835745606499 (9.06071e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.209083529405388 (2.15968e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2090835264202496 (1.42773e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2090835262060447 (1.02449e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2090835261751921 (1.47561e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.2090835261708315 (2.08559e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2090835261706046 (1.08522e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2090835261705098 (4.53204e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.0058002471923828125 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 10 iterations. iteration 1: trace = 0.2098651202886062 (4.6103% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2077435553715469 (1.01605% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2065876445984869 (0.557965% change) large trace change predicted (1.26308%) linmin: converged after 5 iterations. iteration 4: trace = 0.2036945327837802 (1.4103% change) linmin: converged after 7 iterations. iteration 5: trace = 0.2020820274046518 (0.794775% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2017151357863381 (0.181721% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2016398542630094 (0.0373277% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2015598361330475 (0.0396916% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2014449638068836 (0.0570079% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2014122707810966 (0.0162306% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2014087537596145 (0.0017462% change) linmin: converged after 15 iterations. iteration 12: trace = 0.2014078549180843 (0.000446278% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2014061973776658 (0.00082298% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2014048838687256 (0.000652171% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2014047218138699 (8.04623e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2014047010268015 (1.0321e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.2014046853812204 (7.76823e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 0.201404660765346 (1.22221e-05% change) linmin: converged after 11 iterations. iteration 19: trace = 0.2014046519845329 (4.35979e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2014046509574838 (5.09943e-07% change) linmin: converged after 7 iterations. iteration 21: trace = 0.2014046507829159 (8.66752e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.2014046504702771 (1.55229e-07% change) linmin: converged after 21 iterations. iteration 23: trace = 0.201404650217115 (1.25698e-07% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2014046501748755 (2.09725e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 0.2014046501695867 (2.62594e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.2014046501671034 (1.23299e-09% change) large trace change predicted (2.54495e-09%) linmin: converged after 11 iterations. iteration 27: trace = 0.2014046501619765 (2.54556e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 0.201404650160167 (8.98439e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 0.2014046501599492 (1.08167e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 0.201404650159914 (1.74605e-11% change) Finished solving for bands 1 to 2 after 30 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0554835, 0.445338 elapsed time for k point: 0.019493818283081055 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1886993853589348 (5.81613% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1879329654030555 (0.406986% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1879019987162396 (0.0164789% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1879007700599346 (0.000653884% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1879007324411779 (2.00205e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.187900730110987 (1.24012e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1879007300208395 (4.79761e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1879007300173998 (1.83059e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1879007300173185 (4.32802e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.108796, 0.4196 elapsed time for k point: 0.0057642459869384766 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.177090620447409 (5.09773% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1768676334153295 (0.125996% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1768576072264843 (0.00566891% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1768571937062109 (0.000233816% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1768571846110659 (5.14265e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.17685718426356 (1.9649e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1768571842571168 (3.64315e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.176857184256887 (1.29897e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1768571842568802 (3.84498e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.157121, 0.39009 elapsed time for k point: 0.005708456039428711 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1703028333697424 (5.07332% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1701701834280546 (0.077921% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1701632888796343 (0.00405164% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1701630475985811 (0.000141794% change) linmin: converged after 2 iterations. iteration 5: trace = 0.170163043820658 (2.22018e-06% change) linmin: converged after 26 iterations. iteration 6: trace = 0.1701630436796942 (8.28404e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1701630436771921 (1.47042e-09% change) linmin: converged after 6 iterations. iteration 8: trace = 0.1701630436771221 (4.11041e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.195165, 0.36342 elapsed time for k point: 0.0061283111572265625 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1680722256068113 (5.13139% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1679599575333087 (0.0668198% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1679544178043843 (0.0032983% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1679542046758051 (0.000126897% change) linmin: converged after 3 iterations. iteration 5: trace = 0.1679542018800741 (1.66458e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1679542017770075 (6.13659e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1679542017749324 (1.23554e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.167954201774869 (3.77281e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.211216, 0.351201 elapsed time for k point: 0.005165576934814453 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 3 iterations. iteration 1: trace = 0.1727907851940615 (0.90973% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1727441194082773 (0.0270108% change) linmin: converged after 5 iterations. iteration 3: trace = 0.172742290671633 (0.00105864% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1727422490693743 (2.40834e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1727422479861119 (6.27098e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1727422479682355 (1.03486e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1727422479677768 (2.65501e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1727422479677606 (9.39956e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.214395, 0.356057 elapsed time for k point: 0.005198240280151367 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1860989381524436 (1.56232% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1859976762889476 (0.0544277% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1859938669738662 (0.00204807% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1859937714047326 (5.1383e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1859937688937456 (1.35004e-06% change) linmin: converged after 20 iterations. iteration 6: trace = 0.1859937688390201 (2.94233e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1859937688378915 (6.06808e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1859937688378515 (2.15337e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.223034, 0.36912 elapsed time for k point: 0.006644725799560547 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.204398857278778 (2.75517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2041523986067431 (0.12065% change) linmin: converged after 2 iterations. iteration 3: trace = 0.2041422878985797 (0.00495265% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2041420493962594 (0.000116831% change) linmin: converged after 2 iterations. iteration 5: trace = 0.204142041499828 (3.86811e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2041420413330259 (8.17088e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.204142041329127 (1.90987e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2041420413289723 (7.57989e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.234535, 0.38618 elapsed time for k point: 0.005196094512939453 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2213300955570094 (4.3094% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2207839638738396 (0.247055% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2207589339831465 (0.0113375% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2207583808306992 (0.000250569% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2207583584069987 (1.01576e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.220758357912076 (2.24192e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2207583578975028 (6.60144e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2207583578967375 (3.46633e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2207583578967242 (6.03496e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.244797, 0.40104 elapsed time for k point: 0.005755186080932617 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2286358930851747 (5.87517% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2277546866636135 (0.386163% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2277132378226158 (0.0182006% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2277123246168996 (0.000401034% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2277122854063269 (1.72193e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2277122844171639 (4.34392e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2277122843860133 (1.36798e-08% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2277122843842668 (7.66961e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2277122843842428 (1.05556e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.249029, 0.407058 elapsed time for k point: 0.0075969696044921875 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2240217978987306 (8.03377% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2227325966086012 (0.577141% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2221794028707296 (0.248676% change) large trace change predicted (1.12179%) linmin: converged after 6 iterations. iteration 4: trace = 0.2201021533223285 (0.939334% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2194887472932667 (0.27908% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2194646258573113 (0.0109904% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2194635570027366 (0.000487029% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2194633146452799 (0.000110432% change) large trace change predicted (0.00027517%) linmin: converged after 6 iterations. iteration 9: trace = 0.2194627106479067 (0.000275216% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2194625034252833 (9.44227e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 0.2194624959688223 (3.3976e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 0.2194624957143563 (1.1595e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.2194624956685689 (2.08635e-08% change) large trace change predicted (5.35737e-08%) linmin: converged after 2 iterations. iteration 14: trace = 0.2194624955509947 (5.35737e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.2194624955026465 (2.20302e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 0.2194624955005199 (9.69019e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2194624955004418 (3.56141e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.239439, 0.402656 elapsed time for k point: 0.01045083999633789 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2048270491097952 (7.89384% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2042255888086185 (0.294075% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2042030572713608 (0.0110333% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2042021613101474 (0.000438761% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2042021401646438 (1.03552e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2042021396348914 (2.59426e-07% change) linmin: converged after 5 iterations. iteration 7: trace = 0.2042021396248773 (4.90403e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2042021396245604 (1.55196e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2042021396245495 (5.31455e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.206339, 0.402028 elapsed time for k point: 0.0057604312896728516 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1961694955193463 (6.14128% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1959410036458176 (0.116545% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1959317156392236 (0.00474032% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1959313940592608 (0.000164129% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1959313856969012 (4.268e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1959313854375356 (1.32376e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.195931385431126 (3.27138e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1959313854307266 (2.03834e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.1959313854307188 (4.00897e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.149555, 0.416611 elapsed time for k point: 0.005923748016357422 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 8 iterations. iteration 1: trace = 0.2014853855724111 (5.75945% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2008264904582411 (0.327554% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2007788953842623 (0.0237024% change) linmin: converged after 4 iterations. iteration 4: trace = 0.200774994456563 (0.00194292% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2007748543968735 (6.97596e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2007748486133257 (2.88061e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2007748484344859 (8.90748e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2007748484304172 (2.02647e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2007748484302034 (1.06516e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2007748484301817 (1.08105e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0779669, 0.441244 elapsed time for k point: 0.0063855648040771484 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.2122718724222841 (4.82659% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2094216112500319 (1.35182% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2091030511365138 (0.15223% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2090846371542949 (0.00880656% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2090836304333473 (0.000481491% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2090835247433784 (5.05491e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 0.2090835130860209 (5.57545e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.20908351233741 (3.58044e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2090835122673797 (3.34939e-08% change) linmin: converged after 12 iterations. iteration 10: trace = 0.2090835122583799 (4.3044e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.209083512257221 (5.54292e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2090835122571488 (3.45147e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.457257 elapsed time for k point: 0.00427699089050293 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.24902949992222 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.35120083530511803 at Vector3<0.5, 0.0, 0.0> to 0.4572565211897039 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.24902949992222) to band 2 (0.35120083530511803), 34.044042557162825% total elapsed time for run: 0.11311125755310059 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.347214, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0012354850769042969 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 0.4343181010737095 (198.885% change) linmin: converged after 12 iterations. iteration 2: trace = 0.1466798479702049 (99.0152% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1367387884266781 (7.01511% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1336076174223981 (2.31641% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1327039030623742 (0.67869% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326703124348133 (0.0253157% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1326539772352652 (0.0123134% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1326531685227361 (0.000609642% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1326529640371999 (0.000154151% change) linmin: converged after 3 iterations. iteration 10: trace = 0.1326529337762072 (2.28122e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.1326529311517259 (1.97846e-06% change) linmin: converged after 18 iterations. iteration 12: trace = 0.1326529297895758 (1.02685e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.1326529296923191 (7.33166e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 0.1326529296662335 (1.96646e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1326529296624067 (2.8848e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1326529296621591 (1.86637e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1326529296620271 (9.95329e-11% change) Finished solving for bands 2 to 2 after 17 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.364215 elapsed time for k point: 0.012668848037719727 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.1330276952346082 (5.99259% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1318813366874199 (0.865473% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1308680471843932 (0.771297% change) large trace change predicted (1.92882%) linmin: converged after 5 iterations. iteration 4: trace = 0.128304306929748 (1.97841% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1276263878962662 (0.529768% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1275322440298945 (0.0737924% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1275021778548772 (0.0235781% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1274414865517367 (0.0476115% change) linmin: converged after 5 iterations. iteration 9: trace = 0.1274120300325395 (0.0231164% change) linmin: converged after 4 iterations. iteration 10: trace = 0.1274093849400094 (0.00207604% change) linmin: converged after 5 iterations. iteration 11: trace = 0.1274090082736754 (0.000295635% change) linmin: converged after 13 iterations. iteration 12: trace = 0.1274085198427984 (0.000383357% change) linmin: converged after 4 iterations. iteration 13: trace = 0.1274080628429791 (0.000358689% change) linmin: converged after 5 iterations. iteration 14: trace = 0.1274079792683117 (6.55961e-05% change) linmin: converged after 6 iterations. iteration 15: trace = 0.1274079726496398 (5.19486e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 0.1274079698067216 (2.23135e-06% change) linmin: converged after 5 iterations. iteration 17: trace = 0.1274079642222976 (4.3831e-06% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1274079624506347 (1.39054e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1274079623179862 (1.04113e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 0.1274079622924786 (2.00204e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 0.1274079622440727 (3.79928e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 0.1274079622155672 (2.23734e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 0.1274079622132353 (1.83032e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 0.1274079622129696 (2.08546e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 0.1274079622125829 (3.03528e-10% change) linmin: converged after 20 iterations. iteration 26: trace = 0.1274079622122151 (2.8867e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 0.1274079622121569 (4.56827e-11% change) Finished solving for bands 1 to 2 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0438278, 0.354242 elapsed time for k point: 0.03466963768005371 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1175895698985854 (8.46358% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1169854373382419 (0.515087% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1169634629343659 (0.0187856% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1169624287919833 (0.000884162% change) linmin: converged after 15 iterations. iteration 5: trace = 0.1169623892439103 (3.38126e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1169623870108744 (1.90919e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1169623869324882 (6.70183e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1169623869302093 (1.94843e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1169623869301465 (5.37255e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.086595, 0.330853 elapsed time for k point: 0.021570205688476562 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1076617181330985 (7.39497% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1074867217773472 (0.162675% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1074797532363015 (0.00648337% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1074794560989978 (0.000276459% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1074794492025648 (6.41651e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1074794489996317 (1.88811e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1074794489927401 (6.41204e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1074794489925578 (1.69638e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1074794489925547 (2.87938e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.126861, 0.302301 elapsed time for k point: 0.010654926300048828 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1014137083501608 (7.0899% change) linmin: converged after 3 iterations. iteration 2: trace = 0.1013434149944228 (0.0693375% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1013402349806177 (0.00313791% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1013401302210901 (0.000103374% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1013401281880725 (2.00613e-06% change) linmin: converged after 21 iterations. iteration 6: trace = 0.1013401281491232 (3.84342e-08% change) linmin: converged after 5 iterations. iteration 7: trace = 0.1013401281478892 (1.21771e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.1013401281478577 (3.10586e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.161288, 0.274456 elapsed time for k point: 0.017781496047973633 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.09929517146312491 (6.9708% change) linmin: converged after 3 iterations. iteration 2: trace = 0.09924752556066022 (0.0479956% change) linmin: converged after 3 iterations. iteration 3: trace = 0.09924547743477752 (0.00206368% change) linmin: converged after 2 iterations. iteration 4: trace = 0.09924540340840851 (7.45892e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.09924540237232149 (1.04396e-06% change) linmin: converged after 27 iterations. iteration 6: trace = 0.09924540235031715 (2.21716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.0992454023496615 (6.60627e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.09924540234965068 (1.0907e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.177897, 0.259996 elapsed time for k point: 0.0051898956298828125 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1023748756355368 (0.938618% change) linmin: converged after 4 iterations. iteration 2: trace = 0.10234483009841 (0.0293529% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1023441319883404 (0.000682118% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1023441118540878 (1.96731e-05% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1023441112170787 (6.22419e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1023441112108164 (6.11888e-09% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1023441112106436 (1.68821e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1023441112106414 (2.08823e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.18095, 0.263821 elapsed time for k point: 0.005193948745727539 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1111648725369592 (1.70677% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1111022041294547 (0.0563902% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1111005428817409 (0.00149525% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1111004887965007 (4.86814e-05% change) linmin: converged after 11 iterations. iteration 5: trace = 0.1111004875283868 (1.14141e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1111004875048891 (2.115e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1111004875044872 (3.61795e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1111004875044771 (9.06861e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.189456, 0.274239 elapsed time for k point: 0.006150484085083008 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1238434803057007 (3.06251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1236602488077916 (0.148064% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1236554311291923 (0.00389598% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1236552618867514 (0.000136866% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1236552585512283 (2.69744e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1236552584722953 (6.38331e-08% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1236552584710226 (1.02924e-09% change) linmin: converged after 9 iterations. iteration 8: trace = 0.1236552584709829 (3.20752e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.201452, 0.288223 elapsed time for k point: 0.0051915645599365234 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.1365861283694175 (4.90629% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1360353991956018 (0.404025% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1360216616314292 (0.010099% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1360211293759799 (0.000391303% change) linmin: converged after 6 iterations. iteration 5: trace = 0.136021117748354 (8.5484e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1360211172989073 (3.30424e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.136021117275474 (1.72277e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1360211172747932 (5.00461e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.1360211172747791 (1.03659e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.213244, 0.300912 elapsed time for k point: 0.005923271179199219 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.1427907515851958 (7.20068% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1416129588617777 (0.828254% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1415842924679495 (0.0202448% change) linmin: converged after 5 iterations. iteration 4: trace = 0.1415827791943139 (0.00106882% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1415827277312479 (3.63484e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1415827249602425 (1.95716e-06% change) linmin: converged after 7 iterations. iteration 7: trace = 0.1415827248205369 (9.86742e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1415827248187983 (1.22794e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1415827248187514 (3.31108e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.218623, 0.306246 elapsed time for k point: 0.006755828857421875 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.139128512598051 (10.1029% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1378170044816252 (0.947124% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1377216292272727 (0.0692282% change) large trace change predicted (0.351976%) linmin: converged after 6 iterations. iteration 4: trace = 0.1372856158281962 (0.317092% change) linmin: converged after 6 iterations. iteration 5: trace = 0.1366576168038859 (0.458488% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1366119030153259 (0.0334569% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1366103217876671 (0.00115747% change) linmin: converged after 4 iterations. iteration 8: trace = 0.1366097453256683 (0.000421976% change) large trace change predicted (0.0013334%) linmin: converged after 5 iterations. iteration 9: trace = 0.1366079217893784 (0.00133486% change) linmin: converged after 6 iterations. iteration 10: trace = 0.1366070298222958 (0.000652942% change) linmin: converged after 4 iterations. iteration 11: trace = 0.1366069869567786 (3.13787e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1366069853873101 (1.14889e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 0.136606984352414 (7.57572e-07% change) large trace change predicted (2.51117e-06%) linmin: converged after 7 iterations. iteration 14: trace = 0.1366069809219635 (2.51118e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 0.1366069801728979 (5.48336e-07% change) linmin: converged after 2 iterations. iteration 16: trace = 0.1366069801486565 (1.77453e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 0.1366069801469442 (1.25345e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 0.1366069801444114 (1.85406e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 0.1366069801394009 (3.6678e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 0.1366069801387251 (4.94739e-10% change) linmin: converged after 5 iterations. iteration 21: trace = 0.1366069801387 (1.8347e-11% change) Finished solving for bands 1 to 2 after 21 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.206544, 0.306507 elapsed time for k point: 0.01328134536743164 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1288477330212029 (10.0415% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1283196778719535 (0.41067% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1283049547472065 (0.0114744% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1283044898205979 (0.000362361% change) linmin: converged after 2 iterations. iteration 5: trace = 0.1283044779202521 (9.27508e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.1283044775632081 (2.78279e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.1283044775566784 (5.08924e-09% change) linmin: converged after 12 iterations. iteration 8: trace = 0.1283044775564042 (2.13687e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.1283044775563505 (4.18591e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.171233, 0.314617 elapsed time for k point: 0.0057599544525146484 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1253721759990562 (8.44741% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1250731667431224 (0.238782% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1250655728028864 (0.00607178% change) linmin: converged after 2 iterations. iteration 4: trace = 0.1250652918569694 (0.000224639% change) linmin: converged after 24 iterations. iteration 5: trace = 0.1250652868137379 (4.03248e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1250652866511762 (1.29981e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.1250652866473551 (3.05531e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.1250652866471705 (1.47605e-10% change) linmin: converged after 7 iterations. iteration 9: trace = 0.125065286647159 (9.16566e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.120346, 0.332539 elapsed time for k point: 0.005750894546508789 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.1294353344754178 (8.78986% change) linmin: converged after 4 iterations. iteration 2: trace = 0.1287958675499608 (0.495267% change) linmin: converged after 3 iterations. iteration 3: trace = 0.1287444978499471 (0.0398925% change) linmin: converged after 3 iterations. iteration 4: trace = 0.1287432352198245 (0.00098073% change) linmin: converged after 5 iterations. iteration 5: trace = 0.1287431529997959 (6.38636e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.1287431505713914 (1.88624e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1287431504657529 (8.20537e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1287431504623983 (2.60558e-09% change) linmin: converged after 6 iterations. iteration 9: trace = 0.1287431504622696 (9.99901e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0617389, 0.353456 elapsed time for k point: 0.0067043304443359375 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.1366524581132343 (4.3465% change) linmin: converged after 5 iterations. iteration 2: trace = 0.1330957028213662 (2.63709% change) linmin: converged after 4 iterations. iteration 3: trace = 0.1326683867029226 (0.321576% change) linmin: converged after 4 iterations. iteration 4: trace = 0.1326585108523264 (0.00744429% change) linmin: converged after 4 iterations. iteration 5: trace = 0.1326532168393765 (0.00399079% change) linmin: converged after 4 iterations. iteration 6: trace = 0.1326529644658705 (0.000190251% change) linmin: converged after 2 iterations. iteration 7: trace = 0.1326529514655156 (9.80028e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.1326529455152222 (4.48561e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 0.1326529452762264 (1.80166e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 0.1326529452646071 (8.75921e-09% change) linmin: converged after 7 iterations. iteration 11: trace = 0.1326529452610045 (2.71582e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 0.1326529452608697 (1.01562e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 0.1326529452608119 (4.36045e-11% change) Finished solving for bands 2 to 2 after 13 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.364216 elapsed time for k point: 0.003431081771850586 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2186225691051753 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.25999614437474916 at Vector3<0.5, 0.0, 0.0> to 0.3642155203458684 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2186225691051753) to band 2 (0.25999614437474916), 17.288741164655384% total elapsed time for run: 0.16887402534484863 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.194427, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009031295776367188 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 0.6549253906200143 (198.431% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3091275545744975 (71.7383% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3021663145641905 (2.27754% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3010091523576726 (0.38369% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2989636350397318 (0.68187% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2983048314779293 (0.220606% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982588060176778 (0.0154302% change) linmin: converged after 3 iterations. iteration 8: trace = 0.298256042683861 (0.000926493% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2982542423263998 (0.00060363% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2982522951543164 (0.000652859% change) linmin: converged after 3 iterations. iteration 11: trace = 0.2982519775108616 (0.000106502% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2982519598579505 (5.91879e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2982519583456514 (5.07054e-07% change) linmin: converged after 15 iterations. iteration 14: trace = 0.2982519560571799 (7.67295e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551981037 (2.88037e-07% change) linmin: converged after 8 iterations. iteration 16: trace = 0.2982519551550086 (1.44492e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 0.2982519551524458 (8.59287e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 0.2982519551507772 (5.59445e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 0.2982519551491578 (5.42991e-10% change) linmin: converged after 3 iterations. iteration 20: trace = 0.2982519551490034 (5.17418e-11% change) Finished solving for bands 2 to 2 after 20 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.0052525997161865234 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2966250315366553 (4.81134% change) linmin: converged after 6 iterations. iteration 2: trace = 0.2810412199538802 (5.39544% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2797075559501458 (0.475673% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2796368858730388 (0.0252689% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2796049788771749 (0.0114108% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2795924192270245 (0.00449203% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2795912768509242 (0.000408587% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2795911968916416 (2.85986e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2795911512747801 (1.63156e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2795911392192883 (4.31183e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 0.279591138056747 (4.158e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.2795911379221785 (4.81304e-08% change) linmin: converged after 27 iterations. iteration 13: trace = 0.2795911378697254 (1.87606e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 0.2795911378501708 (6.99401e-09% change) linmin: converged after 5 iterations. iteration 15: trace = 0.2795911378480385 (7.62667e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2795911378478668 (6.13898e-11% change) Finished solving for bands 1 to 2 after 16 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0654224, 0.524701 elapsed time for k point: 0.011355400085449219 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.262285041991294 (3.26212% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2613364588441809 (0.362316% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2611888623243493 (0.0564935% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2611845433419114 (0.0016536% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2611842511623715 (0.000111867% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2611842413682735 (3.74988e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 0.261184240987902 (1.45633e-07% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2611842409520096 (1.37422e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2611842409471598 (1.85689e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2611842409470008 (6.08704e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.128149, 0.494734 elapsed time for k point: 0.00633692741394043 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2495890152828732 (3.71776% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2491349626349514 (0.182086% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2491001185963264 (0.013987% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2490994092373555 (0.000284769% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2490993783901632 (1.23835e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.2490993774714976 (3.68795e-07% change) linmin: converged after 17 iterations. iteration 7: trace = 0.2490993774413398 (1.21067e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2490993774400472 (5.18911e-10% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2490993774400128 (1.37943e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184564, 0.463719 elapsed time for k point: 0.0066699981689453125 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2427649179615225 (4.12003% change) linmin: converged after 4 iterations. iteration 2: trace = 0.242459580028427 (0.125854% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2424461076700271 (0.00555669% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2424457235513505 (0.000158435% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2424457147102562 (3.64663e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2424457144963569 (8.82257e-08% change) linmin: converged after 8 iterations. iteration 7: trace = 0.2424457144901444 (2.56241e-09% change) linmin: converged after 5 iterations. iteration 8: trace = 0.242445714489984 (6.61589e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.228088, 0.436373 elapsed time for k point: 0.006879329681396484 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2406037838644215 (4.34726% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2403528913598912 (0.104331% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2403446058300958 (0.00344729% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2403442785818099 (0.000136158% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2403442726085168 (2.48531e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2403442724382664 (7.08361e-08% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2403442724330158 (2.1846e-09% change) linmin: converged after 7 iterations. iteration 8: trace = 0.2403442724329466 (2.88129e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245908, 0.424115 elapsed time for k point: 0.005158662796020508 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2478650541659824 (0.665976% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2478153067195069 (0.0200724% change) linmin: converged after 5 iterations. iteration 3: trace = 0.2478136011813217 (0.000688232% change) linmin: converged after 9 iterations. iteration 4: trace = 0.2478135705407395 (1.23644e-05% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2478135698495617 (2.7891e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.247813569828165 (8.63421e-09% change) linmin: converged after 14 iterations. iteration 7: trace = 0.2478135698278286 (1.35724e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2478135698278218 (2.76645e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249363, 0.43085 elapsed time for k point: 0.005191326141357422 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2689523558126344 (1.15158% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2687965094237142 (0.0579625% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2687923010456907 (0.00156565% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2687921865479118 (4.25971e-05% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2687921840676181 (9.22755e-07% change) linmin: converged after 16 iterations. iteration 6: trace = 0.2687921840087602 (2.18972e-08% change) linmin: converged after 10 iterations. iteration 7: trace = 0.2687921840070877 (6.22226e-10% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2687921840070467 (1.52412e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258652, 0.449323 elapsed time for k point: 0.005442142486572266 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2988641621313887 (2.11503% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2984227993488109 (0.147789% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2984110530872358 (0.00393619% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2984106728909142 (0.000127407% change) linmin: converged after 8 iterations. iteration 5: trace = 0.2984106621553148 (3.59759e-06% change) linmin: converged after 4 iterations. iteration 6: trace = 0.298410661911048 (8.18559e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2984106619038381 (2.4161e-09% change) linmin: converged after 4 iterations. iteration 8: trace = 0.2984106619036122 (7.56926e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270746, 0.474454 elapsed time for k point: 0.005247831344604492 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3278879623914513 (3.57107% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3268031317976849 (0.331402% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3267703883056816 (0.0100198% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3267691490121234 (0.000379256% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3267691042855297 (1.36875e-05% change) linmin: converged after 6 iterations. iteration 6: trace = 0.3267691033363587 (2.90471e-07% change) linmin: converged after 20 iterations. iteration 7: trace = 0.3267691033112133 (7.69517e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3267691033102657 (2.89983e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3267691033102509 (4.51878e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281204, 0.497688 elapsed time for k point: 0.006613254547119141 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3410949974631013 (5.35228% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3391984614179793 (0.557564% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3391366043905772 (0.0182379% change) linmin: converged after 4 iterations. iteration 4: trace = 0.339134207757369 (0.000706689% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3391341108700711 (2.8569e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.3391341089176967 (5.75694e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3391341088659968 (1.52447e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3391341088634661 (7.46223e-10% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3391341088633691 (2.85958e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285404, 0.507621 elapsed time for k point: 0.006532907485961914 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3320175035443904 (7.19666% change) linmin: converged after 5 iterations. iteration 2: trace = 0.32885221764261 (0.957915% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3263796244791458 (0.754723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.3219901164799807 (1.35401% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3215485300393172 (0.137237% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3215259880095883 (0.00701071% change) linmin: converged after 4 iterations. iteration 7: trace = 0.321524056913301 (0.000600605% change) linmin: converged after 5 iterations. iteration 8: trace = 0.3215211961989128 (0.00088974% change) linmin: converged after 4 iterations. iteration 9: trace = 0.3215198890578126 (0.00040655% change) linmin: converged after 5 iterations. iteration 10: trace = 0.3215197879153993 (3.14576e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3215197847617491 (9.80857e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 0.3215197841679537 (1.84684e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 0.321519783062564 (3.43801e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 0.321519782785553 (8.61567e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 0.3215197827696911 (4.93344e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 0.3215197827690932 (1.85947e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.3215197827688706 (6.92336e-11% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.275795, 0.495436 elapsed time for k point: 0.010879278182983398 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2914724979423134 (6.31106% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2901669297397642 (0.448927% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2901228936895049 (0.0151773% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2901214428380559 (0.000500083% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2901214024217765 (1.39308e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2901214014190728 (3.45615e-07% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2901214013741388 (1.5488e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.2901214013724249 (5.90755e-10% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2901214013723648 (2.07219e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240471, 0.48197 elapsed time for k point: 0.006226062774658203 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2714938962778228 (4.17227% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2709002793369421 (0.218888% change) linmin: converged after 4 iterations. iteration 3: trace = 0.270862840327649 (0.0138212% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2708607902378602 (0.000756877% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2708607279884342 (2.29821e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2708607259652259 (7.46955e-07% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2708607258906749 (2.75237e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2708607258855507 (1.89183e-09% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2708607258851874 (1.34136e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2708607258851711 (6.02534e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.175771, 0.489863 elapsed time for k point: 0.006304740905761719 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 9 iterations. iteration 1: trace = 0.275727883707746 (3.37811% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2752294374122133 (0.180938% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2751077523722808 (0.044222% change) linmin: converged after 4 iterations. iteration 4: trace = 0.275094762042982 (0.00472202% change) linmin: converged after 4 iterations. iteration 5: trace = 0.2750943791629711 (0.000139181% change) linmin: converged after 4 iterations. iteration 6: trace = 0.2750943682465168 (3.96826e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.275094367781892 (1.68897e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 0.275094367703044 (2.86622e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 0.2750943676888276 (5.16783e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 0.2750943676881246 (2.55546e-10% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2750943676881146 (3.63221e-12% change) Finished solving for bands 1 to 2 after 11 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0919053, 0.51638 elapsed time for k point: 0.0068738460540771484 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3063507184996812 (2.00508% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031319400186664 (1.05623% change) linmin: converged after 7 iterations. iteration 3: trace = 0.2988994850147804 (1.40606% change) linmin: converged after 8 iterations. iteration 4: trace = 0.2982983429994932 (0.201321% change) linmin: converged after 3 iterations. iteration 5: trace = 0.2982585418778202 (0.0133436% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2982566127600081 (0.000646796% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2982536607041398 (0.000989775% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2982520309344616 (0.000546439% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2982519600533238 (2.37655e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2982519569354715 (1.04538e-06% change) linmin: converged after 7 iterations. iteration 11: trace = 0.2982519563685401 (1.90085e-07% change) linmin: converged after 16 iterations. iteration 12: trace = 0.2982519553645638 (3.3662e-07% change) linmin: converged after 10 iterations. iteration 13: trace = 0.2982519551600099 (6.85843e-08% change) linmin: converged after 22 iterations. iteration 14: trace = 0.2982519551499672 (3.36716e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 0.2982519551494953 (1.58241e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.2982519551492224 (9.14974e-11% change) Finished solving for bands 2 to 2 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546124 elapsed time for k point: 0.004292964935302734 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28540381057856945 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42411505161943924 at Vector3<0.5, 0.0, 0.0> to 0.5461244868610293 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28540381057856945) to band 2 (0.42411505161943924), 39.1000855456212% total elapsed time for run: 0.10707902908325195 done Initializing eigensolver data Computing 2 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 2 bands at a time. Creating Maxwell data... Mesh size is 7. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.161094, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0011279582977294922 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2 Solving for bands 2 to 2... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 0.8865138653874612 (197.906% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3200046970003622 (93.9081% change) linmin: converged after 5 iterations. iteration 3: trace = 0.3068086580978387 (4.21052% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3030326413122449 (1.23836% change) linmin: converged after 3 iterations. iteration 5: trace = 0.3026141893486451 (0.138183% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3025973435560046 (0.00556691% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3025960087856283 (0.000441105% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025957149074368 (9.7119e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3025956971360175 (5.87299e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 0.3025956960690346 (3.5261e-07% change) linmin: converged after 4 iterations. iteration 11: trace = 0.3025956959599987 (3.60335e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 0.3025956959421134 (5.91063e-09% change) linmin: converged after 7 iterations. iteration 13: trace = 0.3025956959407101 (4.63743e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 0.3025956959406486 (2.03262e-11% change) Finished solving for bands 2 to 2 after 14 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550087 elapsed time for k point: 0.004338741302490234 solve_kpoint (0.1,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.304694850544768 (3.77829% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3012169493975252 (1.14799% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3009374600602785 (0.0928298% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3009299252030405 (0.00250383% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3009297396741477 (6.16519e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.30092972116028 (6.15222e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3009297179658467 (1.06152e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3009297177077819 (8.57558e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 0.3009297177020471 (1.90569e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 0.3009297177018309 (7.18493e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0721945, 0.543799 elapsed time for k point: 0.006400108337402344 solve_kpoint (0.2,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2993772621931762 (4.06065% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2971754981861197 (0.738162% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2969647758505132 (0.0709335% change) linmin: converged after 5 iterations. iteration 4: trace = 0.2969599541881608 (0.00162366% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2969598407822387 (3.8189e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2969598364647942 (1.45388e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2969598362066004 (8.69457e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.296959836184407 (7.47356e-09% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2969598361819389 (8.31116e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.2969598361818409 (3.30121e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.141724, 0.526188 elapsed time for k point: 0.008151769638061523 solve_kpoint (0.3,0,0): Solving for bands 1 to 2... linmin: converged after 7 iterations. iteration 1: trace = 0.2938435215784341 (4.30612% change) linmin: converged after 5 iterations. iteration 2: trace = 0.2927441839095635 (0.374825% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2926467105733512 (0.033302% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2926449733559747 (0.000593624% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2926449193562999 (1.84523e-05% change) linmin: converged after 13 iterations. iteration 6: trace = 0.292644917689337 (5.6962e-07% change) linmin: converged after 35 iterations. iteration 7: trace = 0.2926449175856842 (3.54193e-08% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2926449175810242 (1.59239e-09% change) linmin: converged after 2 iterations. iteration 9: trace = 0.2926449175807107 (1.07136e-10% change) linmin: converged after 17 iterations. iteration 10: trace = 0.2926449175807007 (3.41438e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.204809, 0.500698 elapsed time for k point: 0.0063817501068115234 solve_kpoint (0.4,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.2901150873109321 (4.44251% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2895449449297268 (0.196716% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2895150953299019 (0.0103097% change) linmin: converged after 4 iterations. iteration 4: trace = 0.2895144114344814 (0.000236221% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2895143963165008 (5.22184e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.2895143959258291 (1.3494e-07% change) linmin: converged after 19 iterations. iteration 7: trace = 0.2895143959126527 (4.55123e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.2895143959121476 (1.74463e-10% change) linmin: converged after 9 iterations. iteration 9: trace = 0.2895143959121311 (5.67547e-12% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.254113, 0.474279 elapsed time for k point: 0.0075511932373046875 solve_kpoint (0.5,0,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.288803400262168 (4.49556% change) linmin: converged after 4 iterations. iteration 2: trace = 0.2883971863650514 (0.140753% change) linmin: converged after 4 iterations. iteration 3: trace = 0.2883890967942879 (0.00280505% change) linmin: converged after 3 iterations. iteration 4: trace = 0.2883886834700361 (0.000143322% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2883886769569957 (2.25842e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.2883886767783875 (6.19331e-08% change) linmin: converged after 4 iterations. iteration 7: trace = 0.2883886767738498 (1.57349e-09% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2883886767737718 (2.70252e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.274582, 0.461512 elapsed time for k point: 0.00583338737487793 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.2982501673194342 (0.506108% change) linmin: converged after 3 iterations. iteration 2: trace = 0.2982104738003746 (0.0133097% change) linmin: converged after 3 iterations. iteration 3: trace = 0.2982086460163033 (0.000612919% change) linmin: converged after 23 iterations. iteration 4: trace = 0.2982086207857152 (8.46072e-06% change) linmin: converged after 2 iterations. iteration 5: trace = 0.2982086197260261 (3.55352e-07% change) linmin: converged after 2 iterations. iteration 6: trace = 0.298208619695097 (1.03716e-08% change) linmin: converged after 3 iterations. iteration 7: trace = 0.2982086196943675 (2.44637e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.2982086196943483 (6.44075e-12% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.278369, 0.469808 elapsed time for k point: 0.0056650638580322266 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3266367774016526 (0.830279% change) linmin: converged after 3 iterations. iteration 2: trace = 0.3265044430836116 (0.0405224% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3264980604168627 (0.00195487% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3264979266586152 (4.09676e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3264979229973254 (1.12138e-06% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3264979228246051 (5.29009e-08% change) linmin: converged after 15 iterations. iteration 7: trace = 0.3264979228224313 (6.65798e-10% change) linmin: converged after 3 iterations. iteration 8: trace = 0.3264979228223415 (2.75092e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.288519, 0.493208 elapsed time for k point: 0.005200386047363281 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.3695365223764 (1.48558% change) linmin: converged after 4 iterations. iteration 2: trace = 0.3690894962296903 (0.121043% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3690670482003574 (0.00608219% change) linmin: converged after 9 iterations. iteration 4: trace = 0.369066437746191 (0.000165405% change) linmin: converged after 2 iterations. iteration 5: trace = 0.3690664179900577 (5.353e-06% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3690664173327335 (1.78105e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3690664173183388 (3.9003e-09% change) linmin: converged after 2 iterations. iteration 8: trace = 0.3690664173180317 (8.32066e-11% change) Finished solving for bands 1 to 2 after 8 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.301662, 0.52732 elapsed time for k point: 0.005167722702026367 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 2... linmin: converged after 4 iterations. iteration 1: trace = 0.4173499292601254 (2.62841% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4156434788169446 (0.409715% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4155485977073974 (0.0228301% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4155449430743093 (0.000879476% change) linmin: converged after 2 iterations. iteration 5: trace = 0.4155448032643572 (3.3645e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.4155448000759097 (7.67293e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 0.4155447999425277 (3.20981e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 0.4155447999216207 (5.03121e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.4155447999210303 (1.42083e-10% change) linmin: converged after 3 iterations. iteration 10: trace = 0.4155447999210046 (6.19841e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.312941, 0.563571 elapsed time for k point: 0.006329774856567383 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.4460423269353659 (5.07015% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4401376357000977 (1.33262% change) linmin: converged after 4 iterations. iteration 3: trace = 0.4398345567490911 (0.0688838% change) linmin: converged after 4 iterations. iteration 4: trace = 0.4398187039759408 (0.00360432% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4398182310628918 (0.000107525% change) linmin: converged after 3 iterations. iteration 6: trace = 0.4398182203781182 (2.42936e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.4398182200041564 (8.50264e-08% change) linmin: converged after 6 iterations. iteration 8: trace = 0.4398182199097659 (2.14613e-08% change) linmin: converged after 6 iterations. iteration 9: trace = 0.4398182199058903 (8.81187e-10% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4398182199057518 (3.14904e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.317444, 0.582278 elapsed time for k point: 0.007338523864746094 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.4254304940104555 (7.90763% change) linmin: converged after 5 iterations. iteration 2: trace = 0.4154061158898801 (2.38438% change) linmin: converged after 5 iterations. iteration 3: trace = 0.4086474339536491 (1.64035% change) linmin: converged after 5 iterations. iteration 4: trace = 0.4030720876492543 (1.37371% change) linmin: converged after 4 iterations. iteration 5: trace = 0.4025050595480553 (0.140776% change) linmin: converged after 4 iterations. iteration 6: trace = 0.4024773504470213 (0.0068844% change) linmin: converged after 3 iterations. iteration 7: trace = 0.4024758244070205 (0.000379162% change) linmin: converged after 4 iterations. iteration 8: trace = 0.4024756354882399 (4.69392e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 0.40247550442241 (3.25649e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 0.4024754425634778 (1.53696e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 0.4024754386798522 (9.64935e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 0.4024754384625262 (5.39973e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 0.4024754384481776 (3.56508e-09% change) linmin: converged after 7 iterations. iteration 14: trace = 0.4024754384464003 (4.41592e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 0.4024754384452956 (2.74483e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 0.4024754384447274 (1.41166e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 0.4024754384446911 (9.03404e-12% change) Finished solving for bands 1 to 2 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.307036, 0.555161 elapsed time for k point: 0.010393381118774414 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3494947013271267 (5.04145% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3477682141916972 (0.495218% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3476951474265371 (0.0210124% change) linmin: converged after 3 iterations. iteration 4: trace = 0.3476919810771725 (0.000910672% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3476919224042099 (1.6875e-05% change) linmin: converged after 3 iterations. iteration 6: trace = 0.3476919188690358 (1.01675e-06% change) linmin: converged after 3 iterations. iteration 7: trace = 0.3476919187143103 (4.45008e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3476919187046027 (2.792e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3476919187043958 (5.95198e-11% change) Finished solving for bands 1 to 2 after 9 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.267668, 0.5254 elapsed time for k point: 0.007133007049560547 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.313674462678804 (3.55049% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3125395680681952 (0.362462% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3124731771050028 (0.0212447% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3124702465943586 (0.000937848% change) linmin: converged after 11 iterations. iteration 5: trace = 0.3124701893749383 (1.8312e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 0.3124701860944269 (1.04986e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 0.3124701859365773 (5.05167e-08% change) linmin: converged after 18 iterations. iteration 8: trace = 0.3124701859237748 (4.09718e-09% change) linmin: converged after 3 iterations. iteration 9: trace = 0.3124701859233402 (1.39084e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.312470185923318 (7.10611e-12% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.194886, 0.523918 elapsed time for k point: 0.008109092712402344 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 2... linmin: converged after 6 iterations. iteration 1: trace = 0.3038101253174502 (3.91494% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3016593346553426 (0.710454% change) linmin: converged after 3 iterations. iteration 3: trace = 0.3014471622741597 (0.0703598% change) linmin: converged after 4 iterations. iteration 4: trace = 0.3014388140917271 (0.00276941% change) linmin: converged after 4 iterations. iteration 5: trace = 0.3014386435309352 (5.65822e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 0.3014386380615977 (1.81441e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3014386378123752 (8.26777e-08% change) linmin: converged after 8 iterations. iteration 8: trace = 0.3014386377980788 (4.74274e-09% change) linmin: converged after 10 iterations. iteration 9: trace = 0.3014386377957531 (7.71532e-10% change) linmin: converged after 4 iterations. iteration 10: trace = 0.3014386377955977 (5.15631e-11% change) Finished solving for bands 1 to 2 after 10 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.101494, 0.539572 elapsed time for k point: 0.008638381958007812 solve_kpoint (0,0,0): Solving for bands 2 to 2... linmin: converged after 5 iterations. iteration 1: trace = 0.3082775823540669 (5.57215% change) linmin: converged after 5 iterations. iteration 2: trace = 0.3031076120438354 (1.69123% change) linmin: converged after 4 iterations. iteration 3: trace = 0.3026170118071226 (0.161988% change) linmin: converged after 5 iterations. iteration 4: trace = 0.3025983731804747 (0.00615934% change) linmin: converged after 4 iterations. iteration 5: trace = 0.302596172251638 (0.000727346% change) linmin: converged after 5 iterations. iteration 6: trace = 0.302595719263861 (0.000149701% change) linmin: converged after 2 iterations. iteration 7: trace = 0.3025956975678885 (7.16995e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 0.3025956961202268 (4.78414e-07% change) linmin: converged after 29 iterations. iteration 9: trace = 0.3025956959692822 (4.98833e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 0.30259569594187 (9.05901e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 0.3025956959407161 (3.81337e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 0.3025956959406537 (2.06198e-11% change) Finished solving for bands 2 to 2 after 12 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550087 .elapsed time for k point: 0.0032427310943603516 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.31744412297232155 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4615121898996919 at Vector3<0.5, 0.0, 0.0> to 0.5822778105819286 at Vector3<0.5, 0.5, 0.0> Gap from band 1 (0.31744412297232155) to band 2 (0.4615121898996919), 36.990024869608185% total elapsed time for run: 0.10793352127075195 done /tmp/meepakjAzV/test_maximize_first_tm_gap-0: 0.50s /tmp/meepakjAzV/test_multiply_bloch_in_mpb_data-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016760826110839844 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.15678071975708008 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4390370845794678 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09592604637145996 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.0887303352355957 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10894131660461426 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.16124200820922852 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.13531136512756348 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10325431823730469 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.13158011436462402 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.1615138053894043 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.16192102432250977 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.12051844596862793 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.11039280891418457 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10386252403259277 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.141021728515625 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.28420066833496094 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.5072386264801025 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014750957489013672 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.15869450569152832 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5338327884674072 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.10018205642700195 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08816862106323242 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.10408663749694824 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1698756217956543 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.13564038276672363 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.11461973190307617 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.0864255428314209 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.10060262680053711 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.09380340576171875 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.07503294944763184 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07864713668823242 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09995889663696289 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11847591400146484 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.2747676372528076 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.3355422019958496 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 real part range: -1.10098 .. 1.10098 imag part range: -0.00870098 .. 0.00766384 real part range: -1.10099 .. 1.10099 imag part range: -0.00766496 .. 0.00870069 real part range: 0 .. 0 imag part range: 0 .. 0 ./tmp/meepakjAzV/test_multiply_bloch_in_mpb_data-0: 4.90s /tmp/meepakjAzV/test_multiply_bloch_phase-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013842582702636719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.161268949508667 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5465784072875977 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.18862295150756836 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.1208045482635498 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09590959548950195 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15962862968444824 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1692509651184082 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.10674262046813965 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08623790740966797 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.10750174522399902 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.19913554191589355 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.12779736518859863 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.15423178672790527 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1878671646118164 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11913371086120605 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.39928507804870605 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.932659387588501 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 ./tmp/meepakjAzV/test_multiply_bloch_phase-0: 2.94s /tmp/meepakjAzV/test_output_charge_density-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.01066899299621582 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.33223748207092285 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5808093547821045 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.10026383399963379 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.09238553047180176 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.11069750785827637 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2784852981567383 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.23294353485107422 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.1997973918914795 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.15747714042663574 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.13623595237731934 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.12284612655639648 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.16578030586242676 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.23046064376831055 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.23346567153930664 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.2773587703704834 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6316630840301514 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.8948915004730225 done Fixing e-field (band 8) phase by 2.58922e-07 + 1i; max ampl. = 1.10099 .Outputting complex scalar field to /tmp/meepakjAzV/test_output_charge_density-0-C.k16.b08.te.h5... /tmp/meepakjAzV/test_output_charge_density-0: 3.92s /tmp/meepakjAzV/test_output_dpwr_in_objects-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.005441904067993164 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.38147830963134766 D-energy-components:, 1, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 1, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320102546, 0.8567435000049365 Outputting fields to /tmp/meepakjAzV/test_output_dpwr_in_objects-0-d.k01.b02.te.h5... D-energy-components:, 1, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069426, 0.5288260557983413 D-energy-components:, 1, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480439, 0.5288079654922656 D-energy-components:, 1, 5, 0.5, 0.5, 0 dpwr:, 5, 0.9229965195854466, 0.08910010798064814 D-energy-components:, 1, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.000171117688413, 0.4012464930179532 D-energy-components:, 1, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.0001720032258794, 0.40125199105710213 D-energy-components:, 1, 8, 0.499992, 0.500008, 0 dpwr:, 8, 1.092820931747629, 0.2872056682632663 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.8189346790313721 D-energy-components:, 2, 1, 0.0311142, 0.968886, 0 dpwr:, 1, 0.08973322605272505, 0.04603176933548133 D-energy-components:, 2, 2, 0.488088, 0.511912, 0 dpwr:, 2, 0.551137686974427, 0.8445541870140358 D-energy-components:, 2, 3, 0.219526, 0.780474, 0 dpwr:, 3, 0.7615997355586388, 0.4427396122607623 D-energy-components:, 2, 4, 0.779994, 0.220006, 0 dpwr:, 4, 0.7746821846144919, 0.5367491123449687 D-energy-components:, 2, 5, 0.333449, 0.666551, 0 dpwr:, 5, 0.9071987086409541, 0.3120181983347261 D-energy-components:, 2, 6, 0.881419, 0.118581, 0 dpwr:, 6, 1.001877952940223, 0.38913339289709303 D-energy-components:, 2, 7, 0.392233, 0.607767, 0 dpwr:, 7, 1.0035701586968402, 0.27762088392887485 D-energy-components:, 2, 8, 0.507954, 0.492046, 0 dpwr:, 8, 1.1020906511633553, 0.6676492387496954 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.19571757316589355 D-energy-components:, 3, 1, 0.0363561, 0.963644, 0 dpwr:, 1, 0.17869200446402672, 0.05442207264059689 D-energy-components:, 3, 2, 0.446363, 0.553637, 0 dpwr:, 2, 0.5448958802776009, 0.7942737936904464 D-energy-components:, 3, 3, 0.23103, 0.76897, 0 dpwr:, 3, 0.7285335884676534, 0.3007717411390054 D-energy-components:, 3, 4, 0.758854, 0.241146, 0 dpwr:, 4, 0.7785279987553604, 0.5586605740266591 D-energy-components:, 3, 5, 0.240477, 0.759523, 0 dpwr:, 5, 0.8802435456076878, 0.5941655354344233 D-energy-components:, 3, 6, 0.863785, 0.136215, 0 dpwr:, 6, 1.0069870419364997, 0.35472339075154585 D-energy-components:, 3, 7, 0.585239, 0.414761, 0 dpwr:, 7, 1.0169614533587052, 0.21322445865289832 D-energy-components:, 3, 8, 0.535346, 0.464654, 0 dpwr:, 8, 1.1002742200343298, 0.623265498628933 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.19886112213134766 D-energy-components:, 4, 1, 0.0468976, 0.953102, 0 dpwr:, 1, 0.26579760671574704, 0.07189021129298956 D-energy-components:, 4, 2, 0.35602, 0.64398, 0 dpwr:, 2, 0.528175580889728, 0.6596795148910987 D-energy-components:, 4, 3, 0.27068, 0.72932, 0 dpwr:, 3, 0.6854491685263079, 0.3005421253041571 D-energy-components:, 4, 4, 0.732284, 0.267716, 0 dpwr:, 4, 0.783377431811592, 0.5880663066200458 D-energy-components:, 4, 5, 0.261431, 0.738569, 0 dpwr:, 5, 0.8607144514828621, 0.7295588531345849 D-energy-components:, 4, 6, 0.829353, 0.170647, 0 dpwr:, 6, 1.015152030425295, 0.30554099772434606 D-energy-components:, 4, 7, 0.603026, 0.396974, 0 dpwr:, 7, 1.0384314734879103, 0.24673894341648742 D-energy-components:, 4, 8, 0.592482, 0.407518, 0 dpwr:, 8, 1.0966392149656101, 0.5396650770126294 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.2359025478363037 D-energy-components:, 5, 1, 0.0662302, 0.93377, 0 dpwr:, 1, 0.34895594992452583, 0.10384524472299073 D-energy-components:, 5, 2, 0.226367, 0.773633, 0 dpwr:, 2, 0.490738447617832, 0.4356739544080347 D-energy-components:, 5, 3, 0.351613, 0.648387, 0 dpwr:, 3, 0.6527974478809139, 0.4481425123507 D-energy-components:, 5, 4, 0.710454, 0.289546, 0 dpwr:, 4, 0.7873816318426072, 0.6139011766780409 D-energy-components:, 5, 5, 0.295332, 0.704668, 0 dpwr:, 5, 0.8499993146942633, 0.7699338908264387 D-energy-components:, 5, 6, 0.77736, 0.22264, 0 dpwr:, 6, 1.024429460878491, 0.2578911955076916 D-energy-components:, 5, 7, 0.546257, 0.453743, 0 dpwr:, 7, 1.0644076666285343, 0.3322131408251663 D-energy-components:, 5, 8, 0.681176, 0.318824, 0 dpwr:, 8, 1.0912080621155025, 0.432931740401934 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.4078505039215088 D-energy-components:, 6, 1, 0.0773009, 0.922699, 0 dpwr:, 1, 0.4127906712654536, 0.0860399668649528 D-energy-components:, 6, 2, 0.165167, 0.834833, 0 dpwr:, 2, 0.4415884497225444, 0.3584484766510359 D-energy-components:, 6, 3, 0.391615, 0.608385, 0 dpwr:, 3, 0.6419977365450051, 0.5328472337342331 D-energy-components:, 6, 4, 0.702039, 0.297961, 0 dpwr:, 4, 0.7889329895481019, 0.6242704622253022 D-energy-components:, 6, 5, 0.308697, 0.691303, 0 dpwr:, 5, 0.8465878695825275, 0.7771267587548937 D-energy-components:, 6, 6, 0.742736, 0.257264, 0 dpwr:, 6, 1.0291597050650207, 0.2368121142822689 D-energy-components:, 6, 7, 0.350801, 0.649199, 0 dpwr:, 7, 1.086072932359417, 0.5782428834882117 D-energy-components:, 6, 8, 0.737396, 0.262604, 0 dpwr:, 8, 1.0878689635052696, 0.3795081622229656 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.42994213104248047 D-energy-components:, 7, 1, 0.12807, 0.87193, 0 dpwr:, 1, 0.4237414613237853, 0.08405292712306052 D-energy-components:, 7, 2, 0.190236, 0.809764, 0 dpwr:, 2, 0.44578070370980216, 0.37490215610134964 D-energy-components:, 7, 3, 0.394034, 0.605966, 0 dpwr:, 3, 0.6382302673378553, 0.508227094763859 D-energy-components:, 7, 4, 0.691881, 0.308119, 0 dpwr:, 4, 0.7931468861820258, 0.6251503072194667 D-energy-components:, 7, 5, 0.335703, 0.664297, 0 dpwr:, 5, 0.8429434922386815, 0.7355775624966431 D-energy-components:, 7, 6, 0.716117, 0.283883, 0 dpwr:, 6, 0.9865231609182584, 0.18697860289998966 D-energy-components:, 7, 7, 0.592896, 0.407104, 0 dpwr:, 7, 1.0501755817174658, 0.4077764093960339 D-energy-components:, 7, 8, 0.507261, 0.492739, 0 dpwr:, 8, 1.1038343097294325, 0.6404816835444186 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.3078148365020752 D-energy-components:, 8, 1, 0.253956, 0.746044, 0 dpwr:, 1, 0.4547812725154716, 0.08020083733746218 D-energy-components:, 8, 2, 0.258536, 0.741464, 0 dpwr:, 2, 0.4574339768574993, 0.42543224668170315 D-energy-components:, 8, 3, 0.39346, 0.60654, 0 dpwr:, 3, 0.6278984163475767, 0.43806479968572104 D-energy-components:, 8, 4, 0.668133, 0.331867, 0 dpwr:, 4, 0.8052541518094462, 0.6230094255563579 D-energy-components:, 8, 5, 0.454908, 0.545092, 0 dpwr:, 5, 0.8261006682422064, 0.5373015422282856 D-energy-components:, 8, 6, 0.562281, 0.437719, 0 dpwr:, 6, 0.927944859792419, 0.35266364984631754 D-energy-components:, 8, 7, 0.614808, 0.385192, 0 dpwr:, 7, 1.0045628522255505, 0.42073899377174034 D-energy-components:, 8, 8, 0.497393, 0.502607, 0 dpwr:, 8, 1.108792554315, 0.7279717672398118 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.3180422782897949 D-energy-components:, 9, 1, 0.353246, 0.646754, 0 dpwr:, 1, 0.47376659593612236, 0.5125827722134951 D-energy-components:, 9, 2, 0.406264, 0.593736, 0 dpwr:, 2, 0.5012788429465528, 0.07946478028058174 D-energy-components:, 9, 3, 0.37582, 0.62418, 0 dpwr:, 3, 0.6135801757468698, 0.3288116237040682 D-energy-components:, 9, 4, 0.604014, 0.395986, 0 dpwr:, 4, 0.7814668693238181, 0.22327322644032324 D-energy-components:, 9, 5, 0.642263, 0.357737, 0 dpwr:, 5, 0.8241814443502156, 0.6095695047986233 D-energy-components:, 9, 6, 0.357719, 0.642281, 0 dpwr:, 6, 0.8949492139663714, 0.6540286383381512 D-energy-components:, 9, 7, 0.617321, 0.382679, 0 dpwr:, 7, 0.9590511572130652, 0.46189058607300787 D-energy-components:, 9, 8, 0.497742, 0.502258, 0 dpwr:, 8, 1.1106978152214078, 0.7615498171458284 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.31835126876831055 D-energy-components:, 10, 1, 0.450645, 0.549355, 0 dpwr:, 1, 0.4896492003298964, 0.6285469371615308 D-energy-components:, 10, 2, 0.55965, 0.44035, 0 dpwr:, 2, 0.5560451343598191, 0.0903499596303509 D-energy-components:, 10, 3, 0.336621, 0.663379, 0 dpwr:, 3, 0.5995699405207225, 0.1959780618291914 D-energy-components:, 10, 4, 0.593365, 0.406635, 0 dpwr:, 4, 0.7196106755137285, 0.08289042691568235 D-energy-components:, 10, 5, 0.620299, 0.379701, 0 dpwr:, 5, 0.8492467967258347, 0.5777971969564293 D-energy-components:, 10, 6, 0.283543, 0.716457, 0 dpwr:, 6, 0.8843373771777039, 0.7772986149184443 D-energy-components:, 10, 7, 0.618314, 0.381686, 0 dpwr:, 7, 0.9171675057709648, 0.5159863025112328 D-energy-components:, 10, 8, 0.499316, 0.500684, 0 dpwr:, 8, 1.1116210575363994, 0.7756611032715237 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.2966897487640381 D-energy-components:, 11, 1, 0.500002, 0.499998, 0 dpwr:, 1, 0.4968358647448986, 0.6986360262353924 D-energy-components:, 11, 2, 0.490408, 0.509592, 0 dpwr:, 2, 0.5931405141160886, 0.11965861786804133 D-energy-components:, 11, 3, 0.509591, 0.490409, 0 dpwr:, 3, 0.5931535863117833, 0.11954218308176906 D-energy-components:, 11, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.6791690130757021, 0.026633379719866956 D-energy-components:, 11, 5, 0.5, 0.5, 0 dpwr:, 5, 0.8786838141604552, 0.2997497622839382 D-energy-components:, 11, 6, 0.362, 0.638, 0 dpwr:, 6, 0.881977091666069, 0.8023568424744697 D-energy-components:, 11, 7, 0.638005, 0.361995, 0 dpwr:, 7, 0.8819818134421863, 0.8023816357258053 D-energy-components:, 11, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1119173707556913, 0.7797381408707402 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.19165301322937012 D-energy-components:, 12, 1, 0.500001, 0.499999, 0 dpwr:, 1, 0.4709868954434172, 0.41845731017621085 D-energy-components:, 12, 2, 0.5, 0.5, 0 dpwr:, 2, 0.5460026488335807, 0.3658958857129391 D-energy-components:, 12, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6067323336356549, 0.12560615204419626 D-energy-components:, 12, 4, 0.499999, 0.500001, 0 dpwr:, 4, 0.7436021910476279, 0.11295231544330911 D-energy-components:, 12, 5, 0.499995, 0.500005, 0 dpwr:, 5, 0.8392225951317908, 0.573850559806543 D-energy-components:, 12, 6, 0.500004, 0.499996, 0 dpwr:, 6, 0.8822539391893133, 0.7904020720470327 D-energy-components:, 12, 7, 0.500006, 0.499994, 0 dpwr:, 7, 0.9369700961990083, 0.4818498954987373 D-energy-components:, 12, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.1112079237958836, 0.77061008284024 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.22613811492919922 D-energy-components:, 13, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.37243467691290166, 0.1223740833813474 D-energy-components:, 13, 2, 0.500002, 0.499998, 0 dpwr:, 2, 0.5361862884392886, 0.6769327340989899 D-energy-components:, 13, 3, 0.5, 0.5, 0 dpwr:, 3, 0.6445723178214436, 0.15055644500912893 D-energy-components:, 13, 4, 0.499998, 0.500002, 0 dpwr:, 4, 0.8096891551677099, 0.5562411649880867 D-energy-components:, 13, 5, 0.499996, 0.500004, 0 dpwr:, 5, 0.825804393421293, 0.2464350024546788 D-energy-components:, 13, 6, 0.500008, 0.499992, 0 dpwr:, 6, 0.8836423042160464, 0.7471141728536403 D-energy-components:, 13, 7, 0.5, 0.5, 0 dpwr:, 7, 1.010203217330907, 0.38074698867754087 D-energy-components:, 13, 8, 0.5, 0.5, 0 dpwr:, 8, 1.107251471986555, 0.7236183032339155 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.30950260162353516 D-energy-components:, 14, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.2520880962287429, 0.06537222988460781 D-energy-components:, 14, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5428871357208418, 0.776089779273674 D-energy-components:, 14, 3, 0.500001, 0.499999, 0 dpwr:, 3, 0.6980810670314974, 0.22096216698502874 D-energy-components:, 14, 4, 0.5, 0.5, 0 dpwr:, 4, 0.7893713580516234, 0.5549181091414706 D-energy-components:, 14, 5, 0.499969, 0.500031, 0 dpwr:, 5, 0.8884826102636717, 0.6405660798559313 D-energy-components:, 14, 6, 0.500033, 0.499967, 0 dpwr:, 6, 0.8978578700405546, 0.3162262953638465 D-energy-components:, 14, 7, 0.499994, 0.500006, 0 dpwr:, 7, 1.078841340829401, 0.46522856191784423 D-energy-components:, 14, 8, 0.500005, 0.499995, 0 dpwr:, 8, 1.0903856458796717, 0.5462861490109712 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.3569753170013428 D-energy-components:, 15, 1, 0.499999, 0.500001, 0 dpwr:, 1, 0.12684106903469342, 0.047952797703298834 D-energy-components:, 15, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5499075072904045, 0.8350614780733144 D-energy-components:, 15, 3, 0.499999, 0.500001, 0 dpwr:, 3, 0.7503777100615932, 0.3870295603731526 D-energy-components:, 15, 4, 0.500004, 0.499996, 0 dpwr:, 4, 0.7772608508874288, 0.5369475337156477 D-energy-components:, 15, 5, 0.499997, 0.500003, 0 dpwr:, 5, 0.9030590134928069, 0.3906213130756244 D-energy-components:, 15, 6, 0.500003, 0.499997, 0 dpwr:, 6, 0.9619844143351223, 0.36404230320257 D-energy-components:, 15, 7, 0.500001, 0.499999, 0 dpwr:, 7, 1.041906497274037, 0.3229108453858703 D-energy-components:, 15, 8, 0.499999, 0.500001, 0 dpwr:, 8, 1.100036744786668, 0.648922709694379 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.8051924705505371 D-energy-components:, 16, 1, 0, 0, 0 dpwr:, 1, 0.0, 0.0 D-energy-components:, 16, 2, 0.500003, 0.499997, 0 dpwr:, 2, 0.5527092320101995, 0.8567434642230596 Outputting fields to /tmp/meepakjAzV/test_output_dpwr_in_objects-0-d.k16.b02.te.h5... D-energy-components:, 16, 3, 0.455928, 0.544072, 0 dpwr:, 3, 0.7732265593069766, 0.528826082855366 D-energy-components:, 16, 4, 0.544076, 0.455924, 0 dpwr:, 4, 0.7732298839480536, 0.5288079685695205 D-energy-components:, 16, 5, 0.5, 0.5, 0 dpwr:, 5, 0.922996519585588, 0.08910054416430166 D-energy-components:, 16, 6, 0.125495, 0.874505, 0 dpwr:, 6, 1.0001711176882835, 0.4012466293260191 D-energy-components:, 16, 7, 0.874503, 0.125497, 0 dpwr:, 7, 1.000172003225706, 0.4012520176859986 D-energy-components:, 16, 8, 0.499991, 0.500009, 0 .dpwr:, 8, 1.0928209317478468, 0.2872053790863704 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 5.983274698257446 done /tmp/meepakjAzV/test_output_dpwr_in_objects-0: 5.98s /tmp/meepakjAzV/test_output_efield_z-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.009509563446044922 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.663137674331665 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.2859947681427002 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.13515067100524902 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.1319127082824707 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.13579940795898438 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.13219499588012695 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.12449216842651367 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.07648968696594238 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.04777932167053223 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.05543065071105957 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.06066608428955078 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.10728883743286133 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.08619880676269531 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.07484269142150879 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.06541562080383301 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.208543062210083 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 2.4021496772766113 done Fixing e-field (band 8) phase by 2.441e-08 + -1i; max ampl. = 1.49941 FOutputting fields to /tmp/meepakjAzV/test_output_efield_z-0-e.k16.b08.z.tm.h5... /tmp/meepakjAzV/test_output_efield_z-0: 2.42s /tmp/meepakjAzV/test_output_field_to_file-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013575553894042969 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.4958164691925049 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 1.0172505378723145 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.1772148609161377 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.17701339721679688 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.15250825881958008 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2535977363586426 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1553325653076172 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.14978575706481934 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.11350488662719727 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.23045063018798828 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.21253514289855957 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.17666006088256836 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.22067713737487793 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.13866329193115234 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.15621161460876465 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.5193660259246826 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.3503642082214355 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepakjAzV/test_output_field_to_file-0-epsilon.h5... /tmp/meepakjAzV/test_output_field_to_file-0: 4.39s /tmp/meepakjAzV/test_output_tot_pwr-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0016703605651855469 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.23725199699401855 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.6677360534667969 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.17980527877807617 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.17125844955444336 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.28522300720214844 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.464932918548584 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.3399956226348877 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.30315589904785156 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.24454927444458008 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.17806673049926758 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.18140649795532227 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.14358901977539062 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.17462706565856934 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.19433975219726562 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.15232324600219727 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.6177034378051758 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 4.5471110343933105 done D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 Outputting /tmp/meepakjAzV/test_output_tot_pwr-0-tot.rpwr.k16.b08.te.h5... D-energy-components:, 16, 8, 0.499991, 0.500009, 0 B-energy-components:, 16, 8, 0, 0, 1 ./tmp/meepakjAzV/test_output_tot_pwr-0: 4.58s /tmp/meepakjAzV/test_point_defect_state-0 ======================== Initializing eigensolver data Computing 50 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 10 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.08693408966064453 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8, tm band 9, tm band 10, tm band 11, tm band 12, tm band 13, tm band 14, tm band 15, tm band 16, tm band 17, tm band 18, tm band 19, tm band 20, tm band 21, tm band 22, tm band 23, tm band 24, tm band 25, tm band 26, tm band 27, tm band 28, tm band 29, tm band 30, tm band 31, tm band 32, tm band 33, tm band 34, tm band 35, tm band 36, tm band 37, tm band 38, tm band 39, tm band 40, tm band 41, tm band 42, tm band 43, tm band 44, tm band 45, tm band 46, tm band 47, tm band 48, tm band 49, tm band 50 Solving for bands 1 to 10... near maximum in trace linmin: converged after 12 iterations. iteration 1: trace = 0.9773582023559163 (198.958% change) linmin: converged after 7 iterations. iteration 2: trace = 0.3161530410987907 (102.234% change) linmin: converged after 6 iterations. iteration 3: trace = 0.275770780541823 (13.6444% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2578977888964539 (6.69816% change) linmin: converged after 5 iterations. iteration 5: trace = 0.2538047517632808 (1.59977% change) linmin: converged after 5 iterations. iteration 6: trace = 0.252521666448504 (0.506821% change) linmin: converged after 7 iterations. iteration 7: trace = 0.2513324422133906 (0.472051% change) linmin: converged after 5 iterations. iteration 8: trace = 0.250524545611766 (0.321963% change) linmin: converged after 4 iterations. iteration 9: trace = 0.2503563741415212 (0.0671503% change) linmin: converged after 4 iterations. iteration 10: trace = 0.2503392642292798 (0.00683446% change) linmin: converged after 4 iterations. iteration 11: trace = 0.2503364696617258 (0.00111632% change) linmin: converged after 5 iterations. iteration 12: trace = 0.2503356979333106 (0.000308277% change) linmin: converged after 5 iterations. iteration 13: trace = 0.2503350629329613 (0.00025366% change) linmin: converged after 6 iterations. iteration 14: trace = 0.2503346861323358 (0.000150519% change) linmin: converged after 4 iterations. iteration 15: trace = 0.2503342765388505 (0.000163618% change) large trace change predicted (0.000678429%) linmin: converged after 5 iterations. iteration 16: trace = 0.2503325842641612 (0.000676008% change) large trace change predicted (0.00631306%) linmin: converged after 5 iterations. iteration 17: trace = 0.2503200648277745 (0.00500125% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2503038592917609 (0.00647414% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2502978020836445 (0.00241997% change) linmin: converged after 4 iterations. iteration 20: trace = 0.2502965572166423 (0.000497356% change) linmin: converged after 3 iterations. iteration 21: trace = 0.250295870716234 (0.000274275% change) linmin: converged after 5 iterations. iteration 22: trace = 0.2502955615722041 (0.000123512% change) linmin: converged after 5 iterations. iteration 23: trace = 0.2502955228253114 (1.54805e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 0.2502955176855845 (2.05346e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 0.2502955170624709 (2.48951e-07% change) linmin: converged after 3 iterations. iteration 26: trace = 0.250295516776108 (1.1441e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 0.2502955164556004 (1.28052e-07% change) linmin: converged after 2 iterations. iteration 28: trace = 0.2502955162302424 (9.00368e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 0.2502955158423098 (1.5499e-07% change) large trace change predicted (7.06242e-07%) linmin: converged after 4 iterations. iteration 30: trace = 0.2502955140746217 (7.0624e-07% change) large trace change predicted (1.92421e-06%) linmin: converged after 5 iterations. iteration 31: trace = 0.2502955092582698 (1.92427e-06% change) linmin: converged after 4 iterations. iteration 32: trace = 0.2502955074678371 (7.15328e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 0.2502955071409597 (1.30597e-07% change) linmin: converged after 5 iterations. iteration 34: trace = 0.2502955070820969 (2.35173e-08% change) linmin: converged after 3 iterations. iteration 35: trace = 0.2502955070452446 (1.47235e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 0.2502955070312232 (5.60196e-09% change) linmin: converged after 6 iterations. iteration 37: trace = 0.2502955070289656 (9.01967e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2502955070287197 (9.82274e-11% change) Finished solving for bands 1 to 10 after 38 iterations. Solving for bands 11 to 20... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 2.764077242282496 (197.059% change) linmin: converged after 9 iterations. iteration 2: trace = 0.7088244637206618 (118.359% change) linmin: converged after 10 iterations. iteration 3: trace = 0.5830461774916993 (19.4723% change) linmin: converged after 6 iterations. iteration 4: trace = 0.5699441115556886 (2.27271% change) linmin: converged after 5 iterations. iteration 5: trace = 0.5601912957140796 (1.72596% change) linmin: converged after 6 iterations. iteration 6: trace = 0.554977005635624 (0.935158% change) linmin: converged after 4 iterations. iteration 7: trace = 0.5536217797509715 (0.244493% change) linmin: converged after 5 iterations. iteration 8: trace = 0.5527881756235467 (0.150686% change) linmin: converged after 5 iterations. iteration 9: trace = 0.5525197785497575 (0.0485651% change) linmin: converged after 5 iterations. iteration 10: trace = 0.5524120847066949 (0.0194933% change) linmin: converged after 5 iterations. iteration 11: trace = 0.5523393402697568 (0.0131694% change) linmin: converged after 4 iterations. iteration 12: trace = 0.5523162607162734 (0.0041786% change) linmin: converged after 5 iterations. iteration 13: trace = 0.5523079347092207 (0.00150748% change) linmin: converged after 6 iterations. iteration 14: trace = 0.5523053045770734 (0.000476209% change) linmin: converged after 5 iterations. iteration 15: trace = 0.5523046348502885 (0.00012126% change) linmin: converged after 5 iterations. iteration 16: trace = 0.5523044939040401 (2.55197e-05% change) linmin: converged after 6 iterations. iteration 17: trace = 0.5523044363704386 (1.0417e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 0.5523044197503095 (3.00923e-06% change) linmin: converged after 7 iterations. iteration 19: trace = 0.5523044169604693 (5.05127e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 0.5523044161634481 (1.44308e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 0.5523044158163604 (6.28435e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 0.5523044156915484 (2.25984e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 0.5523044156387963 (9.55128e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 0.5523044156091683 (5.36443e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 0.5523044156002892 (1.60765e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 0.5523044155970435 (5.87672e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 0.5523044155956081 (2.59894e-10% change) linmin: converged after 7 iterations. iteration 28: trace = 0.552304415595374 (4.23743e-11% change) Finished solving for bands 11 to 20 after 28 iterations. Solving for bands 21 to 30... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 5.040666553138821 (194.661% change) linmin: converged after 9 iterations. iteration 2: trace = 1.784736938401247 (95.4062% change) linmin: converged after 5 iterations. iteration 3: trace = 1.523333414368856 (15.804% change) linmin: converged after 5 iterations. iteration 4: trace = 1.441532080001039 (5.51805% change) linmin: converged after 5 iterations. iteration 5: trace = 1.405219437466541 (2.55116% change) linmin: converged after 5 iterations. iteration 6: trace = 1.388014989232303 (1.23187% change) linmin: converged after 5 iterations. iteration 7: trace = 1.376962867982376 (0.799437% change) linmin: converged after 5 iterations. iteration 8: trace = 1.37268195131882 (0.31138% change) linmin: converged after 5 iterations. iteration 9: trace = 1.370878341061495 (0.13148% change) linmin: converged after 4 iterations. iteration 10: trace = 1.370189509318599 (0.0502601% change) linmin: converged after 4 iterations. iteration 11: trace = 1.369866378231612 (0.0235857% change) linmin: converged after 4 iterations. iteration 12: trace = 1.369627804103043 (0.0174174% change) linmin: converged after 4 iterations. iteration 13: trace = 1.369391088200206 (0.0172847% change) linmin: converged after 5 iterations. iteration 14: trace = 1.369169936423073 (0.0161509% change) linmin: converged after 5 iterations. iteration 15: trace = 1.369039043718526 (0.00956046% change) linmin: converged after 4 iterations. iteration 16: trace = 1.36896709991595 (0.0052552% change) linmin: converged after 4 iterations. iteration 17: trace = 1.368919763117032 (0.00345791% change) linmin: converged after 4 iterations. iteration 18: trace = 1.368881565102084 (0.00279042% change) linmin: converged after 5 iterations. iteration 19: trace = 1.368847148217092 (0.00251427% change) linmin: converged after 5 iterations. iteration 20: trace = 1.368816057044509 (0.00227137% change) linmin: converged after 7 iterations. iteration 21: trace = 1.368795335803253 (0.00151382% change) linmin: converged after 6 iterations. iteration 22: trace = 1.368783116283498 (0.000892725% change) linmin: converged after 4 iterations. iteration 23: trace = 1.368774313878865 (0.000643085% change) linmin: converged after 5 iterations. iteration 24: trace = 1.36876702717065 (0.000532354% change) linmin: converged after 7 iterations. iteration 25: trace = 1.368760736433417 (0.000459593% change) linmin: converged after 8 iterations. iteration 26: trace = 1.368755530414703 (0.000380346% change) linmin: converged after 5 iterations. iteration 27: trace = 1.368752119509855 (0.000249198% change) linmin: converged after 5 iterations. iteration 28: trace = 1.368749700078314 (0.000176762% change) linmin: converged after 13 iterations. iteration 29: trace = 1.368747854834259 (0.000134812% change) linmin: converged after 4 iterations. iteration 30: trace = 1.368746241521253 (0.000117868% change) linmin: converged after 5 iterations. iteration 31: trace = 1.368745103675057 (8.31306e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 1.368744406365467 (5.09452e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 1.368744106172826 (2.1932e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 1.36874397809044 (9.35766e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 1.368743922574262 (4.05599e-06% change) linmin: converged after 3 iterations. iteration 36: trace = 1.368743896765322 (1.88559e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 1.368743884092236 (9.25892e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 1.368743877674393 (4.68886e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 1.368743873564827 (3.00244e-07% change) linmin: converged after 2 iterations. iteration 40: trace = 1.368743870515095 (2.22812e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 1.368743865625254 (3.5725e-07% change) linmin: converged after 2 iterations. iteration 42: trace = 1.368743856077474 (6.97558e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 1.368743837481702 (1.3586e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 1.368743804106323 (2.43839e-06% change) linmin: converged after 5 iterations. iteration 45: trace = 1.368743762212519 (3.06075e-06% change) linmin: converged after 5 iterations. iteration 46: trace = 1.368743718468747 (3.19591e-06% change) linmin: converged after 5 iterations. iteration 47: trace = 1.368743667116035 (3.75181e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 1.368743567909835 (7.24798e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 1.368743413508752 (1.12805e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 1.368743170382022 (1.77628e-05% change) linmin: converged after 6 iterations. iteration 51: trace = 1.368742909640436 (1.90497e-05% change) linmin: converged after 6 iterations. iteration 52: trace = 1.368742678084064 (1.69174e-05% change) linmin: converged after 7 iterations. iteration 53: trace = 1.368742429352863 (1.81722e-05% change) linmin: converged after 11 iterations. iteration 54: trace = 1.368741979799262 (3.28443e-05% change) large trace change predicted (7.74578e-05%) linmin: converged after 5 iterations. iteration 55: trace = 1.368740938896419 (7.60482e-05% change) linmin: converged after 5 iterations. iteration 56: trace = 1.368739090064356 (0.000135075% change) linmin: converged after 8 iterations. iteration 57: trace = 1.368737088985244 (0.000146199% change) linmin: converged after 5 iterations. iteration 58: trace = 1.368735675184446 (0.000103292% change) linmin: converged after 8 iterations. iteration 59: trace = 1.36873489139564 (5.72637e-05% change) linmin: converged after 6 iterations. iteration 60: trace = 1.368734383052895 (3.71396e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 1.368733869799367 (3.74984e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 1.368733229784598 (4.67596e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 1.368732612888608 (4.50706e-05% change) linmin: converged after 5 iterations. iteration 64: trace = 1.368732103624983 (3.7207e-05% change) linmin: converged after 9 iterations. iteration 65: trace = 1.36873178435718 (2.33258e-05% change) linmin: converged after 5 iterations. iteration 66: trace = 1.368731593555578 (1.394e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 1.368731481643516 (8.17633e-06% change) linmin: converged after 5 iterations. iteration 68: trace = 1.368731406757154 (5.47122e-06% change) linmin: converged after 5 iterations. iteration 69: trace = 1.368731346620766 (4.39359e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 1.368731326396683 (1.47758e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 1.368731305812751 (1.50387e-06% change) linmin: converged after 3 iterations. iteration 72: trace = 1.368731292685496 (9.59082e-07% change) linmin: converged after 6 iterations. iteration 73: trace = 1.368731274190961 (1.35122e-06% change) linmin: converged after 2 iterations. iteration 74: trace = 1.36873124683439 (1.99868e-06% change) linmin: converged after 2 iterations. iteration 75: trace = 1.368731222076538 (1.80882e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 1.368731209365183 (9.28696e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 1.368731204980154 (3.20372e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 1.368731202164322 (2.05726e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 1.368731199544978 (1.9137e-07% change) linmin: converged after 2 iterations. iteration 80: trace = 1.368731196862976 (1.95948e-07% change) linmin: converged after 2 iterations. iteration 81: trace = 1.368731195121577 (1.27227e-07% change) linmin: converged after 2 iterations. iteration 82: trace = 1.368731194394966 (5.30864e-08% change) linmin: converged after 2 iterations. iteration 83: trace = 1.368731194038443 (2.60477e-08% change) linmin: converged after 3 iterations. iteration 84: trace = 1.368731193798584 (1.75242e-08% change) linmin: converged after 2 iterations. iteration 85: trace = 1.368731193444766 (2.58501e-08% change) linmin: converged after 2 iterations. iteration 86: trace = 1.368731192939273 (3.69315e-08% change) linmin: converged after 2 iterations. iteration 87: trace = 1.368731192445322 (3.60883e-08% change) linmin: converged after 3 iterations. iteration 88: trace = 1.368731191973515 (3.44704e-08% change) linmin: converged after 3 iterations. iteration 89: trace = 1.3687311914594 (3.75614e-08% change) linmin: converged after 4 iterations. iteration 90: trace = 1.368731190769489 (5.04052e-08% change) linmin: converged after 2 iterations. iteration 91: trace = 1.368731189492628 (9.32879e-08% change) linmin: converged after 3 iterations. iteration 92: trace = 1.368731187985266 (1.10128e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 1.368731186086125 (1.38752e-07% change) linmin: converged after 6 iterations. iteration 94: trace = 1.36873118302204 (2.23863e-07% change) linmin: converged after 4 iterations. iteration 95: trace = 1.368731177617109 (3.94886e-07% change) large trace change predicted (9.62764e-07%) linmin: converged after 16 iterations. iteration 96: trace = 1.368731164440175 (9.62712e-07% change) large trace change predicted (1.97299e-06%) linmin: converged after 4 iterations. iteration 97: trace = 1.36873113743805 (1.97279e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 1.368731113438422 (1.75342e-06% change) linmin: converged after 5 iterations. iteration 99: trace = 1.368731088527767 (1.81998e-06% change) linmin: converged after 6 iterations. iteration 100: trace = 1.368731069143642 (1.41621e-06% change) linmin: converged after 4 iterations. iteration 101: trace = 1.368731058828905 (7.53599e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 1.368731053231001 (4.08985e-07% change) linmin: converged after 14 iterations. iteration 103: trace = 1.368731050633044 (1.89808e-07% change) linmin: converged after 4 iterations. iteration 104: trace = 1.368731049719111 (6.67723e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 1.368731049381032 (2.47002e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 1.368731049212438 (1.23175e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 1.368731049112461 (7.30433e-09% change) linmin: converged after 5 iterations. iteration 108: trace = 1.368731049041643 (5.17401e-09% change) linmin: converged after 4 iterations. iteration 109: trace = 1.368731048989907 (3.77985e-09% change) linmin: converged after 5 iterations. iteration 110: trace = 1.368731048949556 (2.94805e-09% change) linmin: converged after 12 iterations. iteration 111: trace = 1.368731048927728 (1.59475e-09% change) linmin: converged after 7 iterations. iteration 112: trace = 1.368731048915437 (8.98038e-10% change) linmin: converged after 4 iterations. iteration 113: trace = 1.368731048898766 (1.21795e-09% change) linmin: converged after 5 iterations. iteration 114: trace = 1.368731048867242 (2.3032e-09% change) large trace change predicted (6.63169e-09%) linmin: converged after 4 iterations. iteration 115: trace = 1.368731048776475 (6.63145e-09% change) large trace change predicted (2.53819e-08%) linmin: converged after 4 iterations. iteration 116: trace = 1.368731048429068 (2.53817e-08% change) large trace change predicted (6.62506e-08%) linmin: converged after 7 iterations. iteration 117: trace = 1.368731047522245 (6.62528e-08% change) linmin: converged after 5 iterations. iteration 118: trace = 1.368731045910584 (1.17749e-07% change) linmin: converged after 5 iterations. iteration 119: trace = 1.368731044212744 (1.24045e-07% change) linmin: converged after 4 iterations. iteration 120: trace = 1.368731043116591 (8.00853e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 1.368731041987232 (8.25114e-08% change) large trace change predicted (1.95931e-07%) linmin: converged after 7 iterations. iteration 122: trace = 1.368731039305491 (1.95929e-07% change) large trace change predicted (5.72233e-07%) linmin: converged after 5 iterations. iteration 123: trace = 1.368731031475412 (5.72069e-07% change) large trace change predicted (1.3697e-06%) linmin: converged after 5 iterations. iteration 124: trace = 1.368731012741541 (1.3687e-06% change) linmin: converged after 6 iterations. iteration 125: trace = 1.368730990264535 (1.64218e-06% change) linmin: converged after 8 iterations. iteration 126: trace = 1.368730976167249 (1.02995e-06% change) linmin: converged after 5 iterations. iteration 127: trace = 1.368730969434909 (4.91867e-07% change) linmin: converged after 5 iterations. iteration 128: trace = 1.368730962738434 (4.89247e-07% change) large trace change predicted (1.0363e-06%) linmin: converged after 5 iterations. iteration 129: trace = 1.368730948542338 (1.03717e-06% change) large trace change predicted (2.09757e-06%) linmin: converged after 5 iterations. iteration 130: trace = 1.368730919747172 (2.10379e-06% change) linmin: converged after 5 iterations. iteration 131: trace = 1.368730881719372 (2.77833e-06% change) linmin: converged after 6 iterations. iteration 132: trace = 1.368730850739533 (2.2634e-06% change) linmin: converged after 5 iterations. iteration 133: trace = 1.368730836018361 (1.07553e-06% change) linmin: converged after 6 iterations. iteration 134: trace = 1.368730830348684 (4.14229e-07% change) linmin: converged after 3 iterations. iteration 135: trace = 1.36873082685028 (2.55595e-07% change) linmin: converged after 4 iterations. iteration 136: trace = 1.368730824073477 (2.02874e-07% change) linmin: converged after 5 iterations. iteration 137: trace = 1.368730822419339 (1.20852e-07% change) linmin: converged after 4 iterations. iteration 138: trace = 1.368730821974349 (3.25111e-08% change) linmin: converged after 5 iterations. iteration 139: trace = 1.368730821797337 (1.29325e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 140: trace = 1.36873082173381 (4.64129e-09% change) linmin: converged after 2 iterations. iteration 141: trace = 1.368730821659028 (5.46361e-09% change) linmin: converged after 12 iterations. iteration 142: trace = 1.368730821514677 (1.05463e-08% change) linmin: converged after 2 iterations. iteration 143: trace = 1.36873082127949 (1.71829e-08% change) linmin: converged after 2 iterations. iteration 144: trace = 1.368730821006482 (1.9946e-08% change) linmin: converged after 2 iterations. iteration 145: trace = 1.368730820791103 (1.57356e-08% change) linmin: converged after 3 iterations. iteration 146: trace = 1.368730820664076 (9.28066e-09% change) linmin: converged after 3 iterations. iteration 147: trace = 1.368730820561719 (7.47823e-09% change) linmin: converged after 2 iterations. iteration 148: trace = 1.368730820423973 (1.00638e-08% change) linmin: converged after 2 iterations. iteration 149: trace = 1.368730820282637 (1.0326e-08% change) linmin: converged after 6 iterations. iteration 150: trace = 1.368730820163353 (8.71496e-09% change) linmin: converged after 2 iterations. iteration 151: trace = 1.368730820033991 (9.45121e-09% change) large trace change predicted (1.90732e-08%) linmin: converged after 2 iterations. iteration 152: trace = 1.368730819772934 (1.90729e-08% change) linmin: converged after 2 iterations. iteration 153: trace = 1.368730819301536 (3.44406e-08% change) linmin: converged after 4 iterations. iteration 154: trace = 1.368730818650667 (4.75527e-08% change) linmin: converged after 2 iterations. iteration 155: trace = 1.368730817733782 (6.6988e-08% change) linmin: converged after 8 iterations. iteration 156: trace = 1.368730816601199 (8.27469e-08% change) linmin: converged after 4 iterations. iteration 157: trace = 1.368730814812392 (1.30691e-07% change) linmin: converged after 4 iterations. iteration 158: trace = 1.368730811403355 (2.49066e-07% change) linmin: converged after 7 iterations. iteration 159: trace = 1.368730806806086 (3.35878e-07% change) linmin: converged after 8 iterations. iteration 160: trace = 1.368730803017133 (2.76822e-07% change) linmin: converged after 3 iterations. iteration 161: trace = 1.368730799847216 (2.31595e-07% change) linmin: converged after 11 iterations. iteration 162: trace = 1.368730796328044 (2.57112e-07% change) linmin: converged after 8 iterations. iteration 163: trace = 1.368730793064505 (2.38435e-07% change) linmin: converged after 5 iterations. iteration 164: trace = 1.368730790362386 (1.97418e-07% change) linmin: converged after 3 iterations. iteration 165: trace = 1.36873078878541 (1.15214e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 1.368730787826099 (7.00877e-08% change) linmin: converged after 7 iterations. iteration 167: trace = 1.368730787041913 (5.7293e-08% change) linmin: converged after 5 iterations. iteration 168: trace = 1.368730786327404 (5.22023e-08% change) linmin: converged after 10 iterations. iteration 169: trace = 1.368730785825024 (3.6704e-08% change) linmin: converged after 4 iterations. iteration 170: trace = 1.368730785560769 (1.93066e-08% change) linmin: converged after 4 iterations. iteration 171: trace = 1.368730785470285 (6.6108e-09% change) linmin: converged after 5 iterations. iteration 172: trace = 1.368730785440339 (2.18785e-09% change) linmin: converged after 6 iterations. iteration 173: trace = 1.368730785430635 (7.08963e-10% change) linmin: converged after 3 iterations. iteration 174: trace = 1.368730785427708 (2.13912e-10% change) linmin: converged after 4 iterations. iteration 175: trace = 1.368730785426833 (6.38849e-11% change) Finished solving for bands 21 to 30 after 175 iterations. Solving for bands 31 to 40... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 7.230106530170506 (192.441% change) linmin: converged after 11 iterations. iteration 2: trace = 2.817364100690525 (87.8379% change) linmin: converged after 6 iterations. iteration 3: trace = 2.383772433885725 (16.673% change) linmin: converged after 6 iterations. iteration 4: trace = 2.264181950333428 (5.14594% change) linmin: converged after 12 iterations. iteration 5: trace = 2.205266188017869 (2.63638% change) linmin: converged after 5 iterations. iteration 6: trace = 2.183248748637495 (1.00341% change) linmin: converged after 5 iterations. iteration 7: trace = 2.173760375776314 (0.435545% change) linmin: converged after 5 iterations. iteration 8: trace = 2.167774122084664 (0.275767% change) linmin: converged after 5 iterations. iteration 9: trace = 2.16358040199555 (0.193645% change) linmin: converged after 5 iterations. iteration 10: trace = 2.159739056009329 (0.177704% change) linmin: converged after 4 iterations. iteration 11: trace = 2.15702209476702 (0.12588% change) linmin: converged after 4 iterations. iteration 12: trace = 2.155362898862326 (0.0769503% change) linmin: converged after 4 iterations. iteration 13: trace = 2.154174696420811 (0.0551429% change) linmin: converged after 5 iterations. iteration 14: trace = 2.153097711184035 (0.0500078% change) linmin: converged after 5 iterations. iteration 15: trace = 2.152356411443999 (0.0344354% change) linmin: converged after 5 iterations. iteration 16: trace = 2.151804495845252 (0.0256457% change) linmin: converged after 5 iterations. iteration 17: trace = 2.151338212081666 (0.0216718% change) linmin: converged after 4 iterations. iteration 18: trace = 2.151061653838748 (0.012856% change) linmin: converged after 5 iterations. iteration 19: trace = 2.150823283589471 (0.0110821% change) linmin: converged after 4 iterations. iteration 20: trace = 2.150656546131968 (0.00775256% change) linmin: converged after 4 iterations. iteration 21: trace = 2.150547247757261 (0.00508222% change) linmin: converged after 4 iterations. iteration 22: trace = 2.150480111512736 (0.00312187% change) linmin: converged after 4 iterations. iteration 23: trace = 2.150447077012171 (0.00153616% change) linmin: converged after 5 iterations. iteration 24: trace = 2.150426791487532 (0.000943321% change) linmin: converged after 4 iterations. iteration 25: trace = 2.150415527122207 (0.000523821% change) linmin: converged after 5 iterations. iteration 26: trace = 2.150409797922104 (0.000266423% change) linmin: converged after 5 iterations. iteration 27: trace = 2.150405288663566 (0.000209693% change) linmin: converged after 4 iterations. iteration 28: trace = 2.15040214025945 (0.00014641% change) linmin: converged after 5 iterations. iteration 29: trace = 2.150399521550649 (0.000121778% change) linmin: converged after 6 iterations. iteration 30: trace = 2.150396649501039 (0.000133559% change) linmin: converged after 6 iterations. iteration 31: trace = 2.150393098810755 (0.000165118% change) linmin: converged after 6 iterations. iteration 32: trace = 2.150387654321853 (0.000253186% change) linmin: converged after 7 iterations. iteration 33: trace = 2.150380790837795 (0.000319175% change) linmin: converged after 5 iterations. iteration 34: trace = 2.150373779095473 (0.00032607% change) linmin: converged after 6 iterations. iteration 35: trace = 2.150366763997729 (0.000326227% change) linmin: converged after 5 iterations. iteration 36: trace = 2.150359396527598 (0.000342615% change) linmin: converged after 4 iterations. iteration 37: trace = 2.150351903227359 (0.000348468% change) linmin: converged after 5 iterations. iteration 38: trace = 2.150343144221984 (0.00040733% change) linmin: converged after 4 iterations. iteration 39: trace = 2.150335244258529 (0.000367382% change) linmin: converged after 6 iterations. iteration 40: trace = 2.150328828056092 (0.000298382% change) linmin: converged after 6 iterations. iteration 41: trace = 2.150323123346729 (0.000265295% change) linmin: converged after 4 iterations. iteration 42: trace = 2.150319840811106 (0.000152653% change) linmin: converged after 3 iterations. iteration 43: trace = 2.150317369675977 (0.000114919% change) linmin: converged after 3 iterations. iteration 44: trace = 2.150315485730016 (8.76125e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 2.150314485092851 (4.65344e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 2.150313850319529 (2.952e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 2.150313567745016 (1.31411e-05% change) linmin: converged after 5 iterations. iteration 48: trace = 2.150313402387604 (7.68992e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 2.150313290592575 (5.19901e-06% change) linmin: converged after 6 iterations. iteration 50: trace = 2.150313233309788 (2.66393e-06% change) linmin: converged after 5 iterations. iteration 51: trace = 2.150313205104017 (1.31171e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 2.150313191063011 (6.52975e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.15031318315574 (3.67726e-07% change) linmin: converged after 4 iterations. iteration 54: trace = 2.150313178005872 (2.39494e-07% change) linmin: converged after 2 iterations. iteration 55: trace = 2.15031317468392 (1.54487e-07% change) linmin: converged after 4 iterations. iteration 56: trace = 2.15031317298649 (7.89387e-08% change) linmin: converged after 3 iterations. iteration 57: trace = 2.150313171839945 (5.33199e-08% change) linmin: converged after 4 iterations. iteration 58: trace = 2.150313171038808 (3.72568e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 2.150313170618584 (1.95424e-08% change) linmin: converged after 3 iterations. iteration 60: trace = 2.150313170310127 (1.43447e-08% change) linmin: converged after 2 iterations. iteration 61: trace = 2.15031317007892 (1.07523e-08% change) linmin: converged after 2 iterations. iteration 62: trace = 2.150313169876843 (9.39756e-09% change) linmin: converged after 3 iterations. iteration 63: trace = 2.150313169681186 (9.09903e-09% change) linmin: converged after 8 iterations. iteration 64: trace = 2.15031316952697 (7.17178e-09% change) linmin: converged after 2 iterations. iteration 65: trace = 2.150313169349206 (8.26689e-09% change) linmin: converged after 3 iterations. iteration 66: trace = 2.150313169164314 (8.59838e-09% change) linmin: converged after 2 iterations. iteration 67: trace = 2.150313168971394 (8.97169e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 2.150313168726532 (1.13873e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 2.150313168487834 (1.11006e-08% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 2.150313168383634 (4.84582e-09% change) linmin: converged after 2 iterations. iteration 71: trace = 2.150313168199778 (8.5502e-09% change) linmin: converged after 5 iterations. iteration 72: trace = 2.150313168067435 (6.15461e-09% change) linmin: converged after 2 iterations. iteration 73: trace = 2.150313167954971 (5.23009e-09% change) linmin: converged after 2 iterations. iteration 74: trace = 2.150313167848819 (4.9366e-09% change) linmin: converged after 3 iterations. iteration 75: trace = 2.150313167774826 (3.44105e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 2.150313167690865 (3.90457e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 2.150313167606671 (3.91543e-09% change) linmin: converged after 2 iterations. iteration 78: trace = 2.150313167537179 (3.23173e-09% change) linmin: converged after 2 iterations. iteration 79: trace = 2.150313167461771 (3.50684e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 2.150313167391707 (3.25831e-09% change) linmin: converged after 2 iterations. iteration 81: trace = 2.150313167302679 (4.14023e-09% change) linmin: converged after 2 iterations. iteration 82: trace = 2.150313167174394 (5.96587e-09% change) linmin: converged after 2 iterations. iteration 83: trace = 2.150313167057197 (5.45023e-09% change) linmin: converged after 2 iterations. iteration 84: trace = 2.150313166919648 (6.39672e-09% change) linmin: converged after 2 iterations. iteration 85: trace = 2.150313166760828 (7.38586e-09% change) linmin: converged after 3 iterations. iteration 86: trace = 2.150313166660208 (4.67932e-09% change) linmin: converged after 4 iterations. iteration 87: trace = 2.150313166582061 (3.63425e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 2.15031316651592 (3.07587e-09% change) linmin: converged after 5 iterations. iteration 89: trace = 2.150313166475563 (1.87678e-09% change) linmin: converged after 4 iterations. iteration 90: trace = 2.150313166453092 (1.04503e-09% change) linmin: converged after 4 iterations. iteration 91: trace = 2.150313166442374 (4.98443e-10% change) linmin: converged after 4 iterations. iteration 92: trace = 2.150313166436357 (2.79818e-10% change) linmin: converged after 3 iterations. iteration 93: trace = 2.150313166432015 (2.01938e-10% change) linmin: converged after 3 iterations. iteration 94: trace = 2.150313166429914 (9.76854e-11% change) Finished solving for bands 31 to 40 after 94 iterations. Solving for bands 41 to 50... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 8.54561533283516 (191.103% change) linmin: converged after 9 iterations. iteration 2: trace = 3.261177039207398 (89.5152% change) linmin: converged after 6 iterations. iteration 3: trace = 2.73543054489073 (17.5348% change) linmin: converged after 6 iterations. iteration 4: trace = 2.599623148721098 (5.09114% change) linmin: converged after 10 iterations. iteration 5: trace = 2.527777747030367 (2.80241% change) linmin: converged after 6 iterations. iteration 6: trace = 2.48697195409586 (1.62743% change) linmin: converged after 5 iterations. iteration 7: trace = 2.468814609174601 (0.732773% change) linmin: converged after 7 iterations. iteration 8: trace = 2.458529975618113 (0.417451% change) linmin: converged after 5 iterations. iteration 9: trace = 2.452010579592671 (0.265527% change) linmin: converged after 5 iterations. iteration 10: trace = 2.44695192498564 (0.206519% change) linmin: converged after 5 iterations. iteration 11: trace = 2.443000266960076 (0.161624% change) linmin: converged after 4 iterations. iteration 12: trace = 2.440801969572049 (0.090024% change) linmin: converged after 4 iterations. iteration 13: trace = 2.439651933403517 (0.0471282% change) linmin: converged after 5 iterations. iteration 14: trace = 2.438794406518084 (0.0351557% change) linmin: converged after 5 iterations. iteration 15: trace = 2.438022839070599 (0.0316423% change) linmin: converged after 5 iterations. iteration 16: trace = 2.43731423966883 (0.0290687% change) linmin: converged after 5 iterations. iteration 17: trace = 2.436427459297366 (0.0363901% change) linmin: converged after 5 iterations. iteration 18: trace = 2.435606085478923 (0.0337179% change) linmin: converged after 5 iterations. iteration 19: trace = 2.435080538992132 (0.02158% change) linmin: converged after 5 iterations. iteration 20: trace = 2.434730917248482 (0.0143587% change) linmin: converged after 5 iterations. iteration 21: trace = 2.434515499878323 (0.00884808% change) linmin: converged after 4 iterations. iteration 22: trace = 2.434390164757964 (0.00514839% change) linmin: converged after 4 iterations. iteration 23: trace = 2.434289948271563 (0.00411678% change) linmin: converged after 4 iterations. iteration 24: trace = 2.43421517112559 (0.00307187% change) linmin: converged after 4 iterations. iteration 25: trace = 2.434151151333727 (0.00263003% change) linmin: converged after 5 iterations. iteration 26: trace = 2.434099390081217 (0.00212648% change) linmin: converged after 4 iterations. iteration 27: trace = 2.434069521772944 (0.00122709% change) linmin: converged after 4 iterations. iteration 28: trace = 2.434051894882334 (0.000724176% change) linmin: converged after 6 iterations. iteration 29: trace = 2.434040921125313 (0.000450844% change) linmin: converged after 5 iterations. iteration 30: trace = 2.434034872446438 (0.000248504% change) linmin: converged after 6 iterations. iteration 31: trace = 2.4340311347368 (0.00015356% change) linmin: converged after 5 iterations. iteration 32: trace = 2.434028967791745 (8.9027e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 2.434027725438828 (5.1041e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 2.434026886621372 (3.44621e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 2.434026138719075 (3.0727e-05% change) linmin: converged after 5 iterations. iteration 36: trace = 2.434025450962204 (2.82559e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 2.434024951067755 (2.05378e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 2.434024674081352 (1.13798e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 2.434024546245138 (5.25205e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 2.43402447271568 (3.0209e-06% change) linmin: converged after 2 iterations. iteration 41: trace = 2.43402442264887 (2.05696e-06% change) linmin: converged after 16 iterations. iteration 42: trace = 2.434024388303356 (1.41106e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 2.434024363248842 (1.02935e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 2.434024345054834 (7.47487e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 2.434024334364265 (4.39214e-07% change) linmin: converged after 6 iterations. iteration 46: trace = 2.434024326949267 (3.04639e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 2.434024320899892 (2.48534e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 2.434024317216973 (1.5131e-07% change) linmin: converged after 2 iterations. iteration 49: trace = 2.434024315167457 (8.42028e-08% change) linmin: converged after 2 iterations. iteration 50: trace = 2.434024314139083 (4.225e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 2.434024313590412 (2.25417e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 2.434024313235237 (1.45921e-08% change) linmin: converged after 2 iterations. iteration 53: trace = 2.434024312972156 (1.08085e-08% change) linmin: converged after 2 iterations. iteration 54: trace = 2.434024312720115 (1.03549e-08% change) linmin: converged after 2 iterations. iteration 55: trace = 2.434024312512642 (8.52389e-09% change) linmin: converged after 2 iterations. iteration 56: trace = 2.434024312381686 (5.38021e-09% change) linmin: converged after 5 iterations. iteration 57: trace = 2.434024312305557 (3.1277e-09% change) linmin: converged after 5 iterations. iteration 58: trace = 2.43402431226277 (1.75786e-09% change) linmin: converged after 5 iterations. iteration 59: trace = 2.434024312237418 (1.04159e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 2.434024312222994 (5.926e-10% change) linmin: converged after 4 iterations. iteration 61: trace = 2.434024312214691 (3.4111e-10% change) linmin: converged after 4 iterations. iteration 62: trace = 2.434024312208376 (2.59427e-10% change) linmin: converged after 4 iterations. iteration 63: trace = 2.434024312203916 (1.83253e-10% change) linmin: converged after 3 iterations. iteration 64: trace = 2.434024312200633 (1.34886e-10% change) linmin: converged after 3 iterations. iteration 65: trace = 2.434024312198264 (9.73374e-11% change) Finished solving for bands 41 to 50 after 65 iterations. Finished k-point with 80 mean iterations/band. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.0904454, 0.0904609, 0.0904609, 0.0944816, 0.190067, 0.190067, 0.190067, 0.190068, 0.19007, 0.190245, 0.190245, 0.203237, 0.237196, 0.237298, 0.237298, 0.240872, 0.246066, 0.246066, 0.246066, 0.257408, 0.267453, 0.26748, 0.26748, 0.279812, 0.3773, 0.423294, 0.423305, 0.426098, 0.426099, 0.460406, 0.460406, 0.460407, 0.460423, 0.460426, 0.46271, 0.462711, 0.465484, 0.465538, 0.469456, 0.469457, 0.469856, 0.474575, 0.480164, 0.480164, 0.490505, 0.499359, 0.49936, 0.511689, 0.51273, 0.51273 elapsed time for k point: 55.044424533843994 total elapsed time for run: 55.13188099861145 done Fixing e-field (band 25) phase by -0.24413 + -0.969743i; max ampl. = 0.816569 Outputting fields to /tmp/meepakjAzV/test_point_defect_state-0-e.k01.b25.z.tm.h5... Fixing d-field (band 25) phase by -1 + 2.70339e-07i; max ampl. = 3.30563 D-energy-components:, 1, 25, 0, 0, 1 Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 33 object nodes (vs. 26 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014621734619140625 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.794421911239624 total elapsed time for run: 0.8091473579406738 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006272554397583008 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396094212364524 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01328122170995298 (4.99021% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312125250459154 (1.21177% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01191112086656919 (9.66853% change) linmin: converged after 9 iterations. iteration 5: trace = 0.0110030162695962 (7.92615% change) linmin: converged after 7 iterations. iteration 6: trace = 0.01029304179290455 (6.66766% change) linmin: converged after 5 iterations. iteration 7: trace = 0.0101531458712683 (1.36843% change) large trace change predicted (3.83569%) linmin: converged after 8 iterations. iteration 8: trace = 0.009161074295762101 (10.273% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008800132157818467 (4.01913% change) linmin: converged after 3 iterations. iteration 10: trace = 0.008721130039205466 (0.901786% change) large trace change predicted (5.14951%) linmin: converged after 8 iterations. iteration 11: trace = 0.007755074091853987 (11.7267% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007567651738028323 (2.44633% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00744432729098274 (1.64301% change) large trace change predicted (3.47332%) linmin: converged after 6 iterations. iteration 14: trace = 0.006982846082473489 (6.39739% change) linmin: converged after 4 iterations. iteration 15: trace = 0.006885117068908677 (1.40942% change) linmin: converged after 4 iterations. iteration 16: trace = 0.006706744046671679 (2.6247% change) large trace change predicted (6.61768%) linmin: converged after 6 iterations. iteration 17: trace = 0.005943992996928429 (12.0586% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005764800011462347 (3.06083% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005733187549096868 (0.549878% change) large trace change predicted (3.92338%) linmin: converged after 5 iterations. iteration 20: trace = 0.005437578168133488 (5.29255% change) linmin: converged after 6 iterations. iteration 21: trace = 0.005065994952417877 (7.07537% change) linmin: converged after 4 iterations. iteration 22: trace = 0.004980329233775762 (1.70541% change) linmin: converged after 5 iterations. iteration 23: trace = 0.004799389227541902 (3.70031% change) linmin: converged after 6 iterations. iteration 24: trace = 0.004290565557764014 (11.1953% change) linmin: converged after 5 iterations. iteration 25: trace = 0.004129783466733805 (3.81889% change) linmin: converged after 3 iterations. iteration 26: trace = 0.004098164734631855 (0.768569% change) large trace change predicted (2.30942%) linmin: converged after 4 iterations. iteration 27: trace = 0.003988836574243196 (2.7038% change) large trace change predicted (5.91726%) linmin: converged after 6 iterations. iteration 28: trace = 0.003638194884514588 (9.19471% change) linmin: converged after 5 iterations. iteration 29: trace = 0.003465126406214108 (4.87289% change) linmin: converged after 4 iterations. iteration 30: trace = 0.003391039545076355 (2.16117% change) large trace change predicted (5.05382%) linmin: converged after 5 iterations. iteration 31: trace = 0.003180940877716805 (6.39377% change) linmin: converged after 5 iterations. iteration 32: trace = 0.002877900209262322 (10.0033% change) linmin: converged after 4 iterations. iteration 33: trace = 0.002790051991039538 (3.09982% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002766730330194419 (0.839394% change) large trace change predicted (1.83716%) linmin: converged after 3 iterations. iteration 35: trace = 0.002712677849314165 (1.97293% change) large trace change predicted (6.51997%) linmin: converged after 5 iterations. iteration 36: trace = 0.002489458767243676 (8.58182% change) linmin: converged after 5 iterations. iteration 37: trace = 0.002278426018734292 (8.85226% change) linmin: converged after 4 iterations. iteration 38: trace = 0.002210940775452601 (3.00645% change) linmin: converged after 3 iterations. iteration 39: trace = 0.002159482749761328 (2.35483% change) large trace change predicted (5.04213%) linmin: converged after 4 iterations. iteration 40: trace = 0.00203481187534167 (5.94478% change) linmin: converged after 4 iterations. iteration 41: trace = 0.001904048309856952 (6.63967% change) linmin: converged after 3 iterations. iteration 42: trace = 0.00185832050557658 (2.4308% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001833707942128221 (1.33328% change) large trace change predicted (2.94396%) linmin: converged after 4 iterations. iteration 44: trace = 0.001775450547252923 (3.22831% change) linmin: converged after 5 iterations. iteration 45: trace = 0.001644503970627782 (7.6578% change) linmin: converged after 4 iterations. iteration 46: trace = 0.001555689303286632 (5.55058% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001524235618688454 (2.0425% change) linmin: converged after 3 iterations. iteration 48: trace = 0.001497778457823109 (1.75096% change) large trace change predicted (4.11787%) linmin: converged after 4 iterations. iteration 49: trace = 0.001431456499506636 (4.52828% change) linmin: converged after 4 iterations. iteration 50: trace = 0.001319832847711346 (8.11428% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001256207645533782 (4.93977% change) linmin: converged after 3 iterations. iteration 52: trace = 0.001230391786619745 (2.0764% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001203986363794925 (2.16938% change) linmin: converged after 3 iterations. iteration 54: trace = 0.00115248694587591 (4.37089% change) linmin: converged after 3 iterations. iteration 55: trace = 0.001100112377774731 (4.65015% change) linmin: converged after 3 iterations. iteration 56: trace = 0.001077292856449817 (2.09603% change) linmin: converged after 4 iterations. iteration 57: trace = 0.001065332550532409 (1.11642% change) linmin: converged after 3 iterations. iteration 58: trace = 0.001045132371032226 (1.91429% change) large trace change predicted (5.01463%) linmin: converged after 3 iterations. iteration 59: trace = 0.0009893701148277678 (5.48166% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0009134884174844436 (7.97555% change) linmin: converged after 3 iterations. iteration 61: trace = 0.000874757439243248 (4.33173% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0008583544664514737 (1.89289% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008424113279837489 (1.87482% change) linmin: converged after 3 iterations. iteration 64: trace = 0.0008152380190685438 (3.27854% change) linmin: converged after 3 iterations. iteration 65: trace = 0.0007878477213842137 (3.4172% change) linmin: converged after 4 iterations. iteration 66: trace = 0.0007745627298126695 (1.70058% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000767219441475719 (0.952571% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0007562123535870173 (1.44504% change) large trace change predicted (3.45965%) linmin: converged after 3 iterations. iteration 69: trace = 0.0007292232467670601 (3.63383% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007201718792198771 (1.24899% change) large trace change predicted (5.3862%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006820040602905039 (5.44408% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006742704219718236 (1.14042% change) large trace change predicted (28.309%) linmin: converged after 4 iterations. iteration 73: trace = 0.0005003027046157548 (29.6223% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0004903658432335563 (2.00609% change) large trace change predicted (6.19981%) linmin: converged after 4 iterations. iteration 75: trace = 0.0004599272313909961 (6.40615% change) linmin: converged after 3 iterations. iteration 76: trace = 0.0004555356679372165 (0.959419% change) linmin: converged after 3 iterations. iteration 77: trace = 0.0004549395880423197 (0.130938% change) large trace change predicted (0.67778%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004518602131959129 (0.679174% change) linmin: converged after 3 iterations. iteration 79: trace = 0.0004469389668073831 (1.09507% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004430305337104067 (0.87833% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004426074244622806 (0.095549% change) large trace change predicted (1.38401%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004365008038963863 (1.38928% change) linmin: converged after 2 iterations. iteration 83: trace = 0.000435791942494028 (0.162528% change) large trace change predicted (0.763752%) linmin: converged after 4 iterations. iteration 84: trace = 0.000432462329684045 (0.766967% change) linmin: converged after 2 iterations. iteration 85: trace = 0.0004322890730210272 (0.0400709% change) large trace change predicted (1.24372%) linmin: converged after 4 iterations. iteration 86: trace = 0.0004268775599662793 (1.25971% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004264886192328498 (0.0911545% change) large trace change predicted (0.708716%) linmin: converged after 4 iterations. iteration 88: trace = 0.000423453578635157 (0.714176% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004232426025476582 (0.0498351% change) large trace change predicted (0.349643%) linmin: converged after 4 iterations. iteration 90: trace = 0.000421757921823284 (0.351404% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0004207658762294467 (0.235494% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0004196438052718286 (0.26703% change) linmin: converged after 4 iterations. iteration 93: trace = 0.0004186306122548561 (0.241733% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0004184953845214169 (0.0323076% change) large trace change predicted (0.125504%) linmin: converged after 4 iterations. iteration 95: trace = 0.0004179692102365137 (0.125809% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0004174146479140429 (0.132768% change) linmin: converged after 4 iterations. iteration 97: trace = 0.0004169210654538547 (0.118317% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0004168953517182827 (0.00616772% change) large trace change predicted (0.194111%) linmin: converged after 4 iterations. iteration 99: trace = 0.0004160835437604056 (0.194917% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0004159547361075745 (0.030962% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004157198047469032 (0.056496% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0004156861672964403 (0.0080917% change) large trace change predicted (0.161367%) linmin: converged after 3 iterations. iteration 103: trace = 0.000415015769837011 (0.161405% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004149907927671911 (0.00601852% change) large trace change predicted (0.0549512%) linmin: converged after 3 iterations. iteration 105: trace = 0.0004147628361953296 (0.0549456% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0004147394187770554 (0.00564614% change) large trace change predicted (0.0338927%) linmin: converged after 3 iterations. iteration 107: trace = 0.0004145988939304534 (0.0338884% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0004145923269721607 (0.00158394% change) large trace change predicted (0.0368809%) linmin: converged after 3 iterations. iteration 109: trace = 0.0004144394958770213 (0.0368698% change) linmin: converged after 3 iterations. iteration 110: trace = 0.0004143662526280264 (0.0176744% change) linmin: converged after 3 iterations. iteration 111: trace = 0.000414300372581812 (0.0159003% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004142972990238712 (0.00074187% change) large trace change predicted (0.0409684%) linmin: converged after 3 iterations. iteration 113: trace = 0.0004141279401081156 (0.040887% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004141257883983192 (0.000519577% change) large trace change predicted (0.00468264%) linmin: converged after 3 iterations. iteration 115: trace = 0.0004141063987592697 (0.00468217% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000414104237397629 (0.000521935% change) large trace change predicted (0.0181301%) linmin: converged after 2 iterations. iteration 117: trace = 0.0004140291493238772 (0.0181343% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004140277758299471 (0.000331739% change) large trace change predicted (0.00913413%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004139899443903279 (0.00913783% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0004139873450954302 (0.000627866% change) large trace change predicted (0.00364927%) linmin: converged after 2 iterations. iteration 121: trace = 0.0004139722345024138 (0.00365008% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004139689703828329 (0.000788491% change) large trace change predicted (0.00587122%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004139446555727229 (0.00587376% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004139442371795921 (0.000101075% change) large trace change predicted (0.000893308%) linmin: converged after 2 iterations. iteration 125: trace = 0.0004139405390507014 (0.000893392% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004139381541907386 (0.000576138% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0004139350539578887 (0.000748963% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004139349273108958 (3.05959e-05% change) large trace change predicted (0.000511257%) linmin: converged after 2 iterations. iteration 129: trace = 0.000413932810794674 (0.000511317% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004139318232519382 (0.000238576% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0004139304983427008 (0.00032008% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0004139304263362939 (1.73958e-05% change) large trace change predicted (0.000339426%) linmin: converged after 2 iterations. iteration 133: trace = 0.0004139290212288972 (0.000339456% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0004139288694245648 (3.6674e-05% change) large trace change predicted (0.000224737%) linmin: converged after 2 iterations. iteration 135: trace = 0.0004139279391436693 (0.000224744% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0004139270056153959 (0.000225529% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0004139264559419639 (0.000132795% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0004139264207777623 (8.49528e-06% change) large trace change predicted (7.61596e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.000413926105533619 (7.61595e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0004139258681090479 (5.73592e-05% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0004139258431675133 (6.0256e-06% change) large trace change predicted (7.23447e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0004139255437175319 (7.23439e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0004139249894459899 (0.000133906% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0004139249792127448 (2.47225e-06% change) large trace change predicted (7.06563e-05%) linmin: converged after 2 iterations. iteration 145: trace = 0.0004139246867591718 (7.06538e-05% change) linmin: converged after 2 iterations. iteration 146: trace = 0.0004139245182542564 (4.07091e-05% change) linmin: converged after 2 iterations. iteration 147: trace = 0.0004139244454850525 (1.75803e-05% change) linmin: converged after 2 iterations. iteration 148: trace = 0.0004139244240450985 (5.17968e-06% change) large trace change predicted (4.81328e-05%) linmin: converged after 2 iterations. iteration 149: trace = 0.0004139242248158407 (4.81318e-05% change) linmin: converged after 2 iterations. iteration 150: trace = 0.0004139240693342124 (3.75628e-05% change) linmin: converged after 2 iterations. iteration 151: trace = 0.0004139239641619913 (2.54086e-05% change) linmin: converged after 2 iterations. iteration 152: trace = 0.000413923952211523 (2.88712e-06% change) large trace change predicted (2.76653e-05%) linmin: converged after 2 iterations. iteration 153: trace = 0.0004139238376982617 (2.76653e-05% change) linmin: converged after 2 iterations. iteration 154: trace = 0.0004139237782388516 (1.43648e-05% change) linmin: converged after 2 iterations. iteration 155: trace = 0.0004139236861952884 (2.22368e-05% change) linmin: converged after 2 iterations. iteration 156: trace = 0.0004139236797093214 (1.56695e-06% change) large trace change predicted (1.2381e-05%) linmin: converged after 2 iterations. iteration 157: trace = 0.0004139236284611128 (1.23811e-05% change) linmin: converged after 2 iterations. iteration 158: trace = 0.0004139236190765799 (2.26721e-06% change) linmin: converged after 2 iterations. iteration 159: trace = 0.0004139236165391716 (6.13014e-07% change) Finished solving for bands 1 to 1 after 159 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.3773 elapsed time for k point: 0.7567653656005859 total elapsed time for run: 0.7631189823150635 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006373167037963867 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139704128560643 (199.998% change) linmin: converged after 5 iterations. iteration 2: trace = 0.01325247935111975 (5.27448% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01309864585223207 (1.16757% change) near maximum in trace linmin: converged after 8 iterations. iteration 4: trace = 0.01180419769830925 (10.396% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01092171084968943 (7.76635% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0104832362042705 (4.09695% change) linmin: converged after 6 iterations. iteration 7: trace = 0.01024244099014652 (2.32364% change) linmin: converged after 9 iterations. iteration 8: trace = 0.009296726181321038 (9.6802% change) linmin: converged after 5 iterations. iteration 9: trace = 0.009092549250416949 (2.22061% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008877950458103788 (2.38835% change) linmin: converged after 6 iterations. iteration 11: trace = 0.008191259878067776 (8.04596% change) linmin: converged after 4 iterations. iteration 12: trace = 0.008096286457343976 (1.16621% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007980245656617101 (1.4436% change) linmin: converged after 6 iterations. iteration 14: trace = 0.007633080390827254 (4.44704% change) linmin: converged after 4 iterations. iteration 15: trace = 0.007551101189687394 (1.0798% change) linmin: converged after 3 iterations. iteration 16: trace = 0.007469146928803855 (1.09125% change) large trace change predicted (3.9796%) linmin: converged after 6 iterations. iteration 17: trace = 0.007061705120440128 (5.60795% change) linmin: converged after 4 iterations. iteration 18: trace = 0.006903078386241062 (2.27181% change) linmin: converged after 4 iterations. iteration 19: trace = 0.006883599985888954 (0.282568% change) large trace change predicted (0.911153%) linmin: converged after 4 iterations. iteration 20: trace = 0.00681525517829826 (0.997818% change) large trace change predicted (3.64606%) linmin: converged after 6 iterations. iteration 21: trace = 0.006414667864077147 (6.05578% change) linmin: converged after 5 iterations. iteration 22: trace = 0.006179070463155562 (3.7415% change) linmin: converged after 3 iterations. iteration 23: trace = 0.006123365667045719 (0.90559% change) large trace change predicted (1.96323%) linmin: converged after 4 iterations. iteration 24: trace = 0.005987920414037494 (2.23668% change) linmin: converged after 5 iterations. iteration 25: trace = 0.00577045887794577 (3.69884% change) linmin: converged after 3 iterations. iteration 26: trace = 0.005717242846854336 (0.926487% change) linmin: converged after 3 iterations. iteration 27: trace = 0.005689514766158294 (0.486169% change) large trace change predicted (2.33743%) linmin: converged after 5 iterations. iteration 28: trace = 0.005515593855524939 (3.10431% change) linmin: converged after 5 iterations. iteration 29: trace = 0.004998906369241024 (9.82809% change) linmin: converged after 6 iterations. iteration 30: trace = 0.0047750227468392 (4.58124% change) linmin: converged after 3 iterations. iteration 31: trace = 0.004746932747066135 (0.590005% change) linmin: converged after 3 iterations. iteration 32: trace = 0.004704286249534733 (0.902455% change) large trace change predicted (2.70435%) linmin: converged after 4 iterations. iteration 33: trace = 0.004559634268193689 (3.12291% change) linmin: converged after 3 iterations. iteration 34: trace = 0.004505785235730644 (1.18801% change) linmin: converged after 4 iterations. iteration 35: trace = 0.004486716278660491 (0.424108% change) large trace change predicted (1.65013%) linmin: converged after 4 iterations. iteration 36: trace = 0.004403659935361575 (1.86846% change) linmin: converged after 5 iterations. iteration 37: trace = 0.00427652681574679 (2.92927% change) linmin: converged after 3 iterations. iteration 38: trace = 0.004241792311810986 (0.815525% change) linmin: converged after 3 iterations. iteration 39: trace = 0.004212672878610267 (0.688853% change) large trace change predicted (2.6159%) linmin: converged after 5 iterations. iteration 40: trace = 0.004078307839058333 (3.24123% change) linmin: converged after 5 iterations. iteration 41: trace = 0.003921854172378827 (3.91126% change) linmin: converged after 3 iterations. iteration 42: trace = 0.003887258230778637 (0.88604% change) linmin: converged after 4 iterations. iteration 43: trace = 0.003877595631595188 (0.24888% change) large trace change predicted (0.564259%) linmin: converged after 3 iterations. iteration 44: trace = 0.003854774509315449 (0.590275% change) linmin: converged after 4 iterations. iteration 45: trace = 0.003806743759075903 (1.25382% change) linmin: converged after 3 iterations. iteration 46: trace = 0.003784645770881508 (0.582186% change) linmin: converged after 4 iterations. iteration 47: trace = 0.003772030283002335 (0.33389% change) large trace change predicted (1.10169%) linmin: converged after 3 iterations. iteration 48: trace = 0.003727677192100772 (1.1828% change) large trace change predicted (2.54483%) linmin: converged after 5 iterations. iteration 49: trace = 0.003617159141799081 (3.00941% change) linmin: converged after 4 iterations. iteration 50: trace = 0.003566314305240271 (1.41561% change) linmin: converged after 3 iterations. iteration 51: trace = 0.003555267782136195 (0.310227% change) linmin: converged after 3 iterations. iteration 52: trace = 0.003544772930972855 (0.295628% change) large trace change predicted (0.882197%) linmin: converged after 4 iterations. iteration 53: trace = 0.003511336163544016 (0.94774% change) linmin: converged after 4 iterations. iteration 54: trace = 0.003474290018800834 (1.06064% change) linmin: converged after 3 iterations. iteration 55: trace = 0.003461055304604568 (0.38166% change) linmin: converged after 3 iterations. iteration 56: trace = 0.003450064076673498 (0.318074% change) large trace change predicted (0.959984%) linmin: converged after 4 iterations. iteration 57: trace = 0.003414599750455045 (1.03324% change) linmin: converged after 4 iterations. iteration 58: trace = 0.003355264791946304 (1.75291% change) linmin: converged after 3 iterations. iteration 59: trace = 0.003328832118899126 (0.790912% change) linmin: converged after 3 iterations. iteration 60: trace = 0.003316361826965426 (0.375318% change) large trace change predicted (0.782533%) linmin: converged after 3 iterations. iteration 61: trace = 0.003288989405475136 (0.828795% change) large trace change predicted (1.92333%) linmin: converged after 4 iterations. iteration 62: trace = 0.003216637088435873 (2.2243% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0031633288891235 (1.67111% change) linmin: converged after 3 iterations. iteration 64: trace = 0.003147796524626722 (0.492222% change) linmin: converged after 3 iterations. iteration 65: trace = 0.003138735020054819 (0.288283% change) large trace change predicted (0.631443%) linmin: converged after 3 iterations. iteration 66: trace = 0.003117908288074134 (0.665748% change) linmin: converged after 4 iterations. iteration 67: trace = 0.003080073611720689 (1.22087% change) linmin: converged after 3 iterations. iteration 68: trace = 0.003057130980387658 (0.747657% change) linmin: converged after 3 iterations. iteration 69: trace = 0.003044853183462938 (0.40242% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.003040645554072147 (0.138284% change) large trace change predicted (0.662844%) linmin: converged after 3 iterations. iteration 71: trace = 0.003020737913830766 (0.656868% change) large trace change predicted (3.15233%) linmin: converged after 4 iterations. iteration 72: trace = 0.00292930566739102 (3.07333% change) linmin: converged after 3 iterations. iteration 73: trace = 0.002880127581963598 (1.69304% change) large trace change predicted (4.94794%) linmin: converged after 4 iterations. iteration 74: trace = 0.002741582966748026 (4.92891% change) linmin: converged after 4 iterations. iteration 75: trace = 0.002701516927257924 (1.47218% change) linmin: converged after 3 iterations. iteration 76: trace = 0.002680059245967761 (0.79745% change) linmin: converged after 3 iterations. iteration 77: trace = 0.002654711663958115 (0.950278% change) linmin: converged after 4 iterations. iteration 78: trace = 0.00263395315502916 (0.785019% change) linmin: converged after 4 iterations. iteration 79: trace = 0.002632703149905708 (0.0474686% change) large trace change predicted (1.11881%) linmin: converged after 3 iterations. iteration 80: trace = 0.002603510908529128 (1.11501% change) linmin: converged after 4 iterations. iteration 81: trace = 0.002602852951166054 (0.0252751% change) large trace change predicted (1.98243%) linmin: converged after 4 iterations. iteration 82: trace = 0.002546719623661904 (2.18012% change) linmin: converged after 4 iterations. iteration 83: trace = 0.002545931326038623 (0.0309582% change) large trace change predicted (0.28249%) linmin: converged after 4 iterations. iteration 84: trace = 0.002538665650581014 (0.285792% change) linmin: converged after 4 iterations. iteration 85: trace = 0.002531307083978984 (0.29028% change) linmin: converged after 4 iterations. iteration 86: trace = 0.002525454518374927 (0.231475% change) linmin: converged after 4 iterations. iteration 87: trace = 0.002519246691417378 (0.246113% change) linmin: converged after 4 iterations. iteration 88: trace = 0.002518419308579481 (0.0328479% change) large trace change predicted (0.184395%) linmin: converged after 4 iterations. iteration 89: trace = 0.002513730250763979 (0.186364% change) linmin: converged after 4 iterations. iteration 90: trace = 0.002512968998810526 (0.0302883% change) large trace change predicted (0.217796%) linmin: converged after 4 iterations. iteration 91: trace = 0.002507432797603135 (0.220548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.002507213225727589 (0.00875722% change) large trace change predicted (0.5147%) linmin: converged after 4 iterations. iteration 93: trace = 0.002493995010863174 (0.528601% change) linmin: converged after 4 iterations. iteration 94: trace = 0.002493329897761381 (0.0266721% change) large trace change predicted (1.39143%) linmin: converged after 4 iterations. iteration 95: trace = 0.002455039003712123 (1.54762% change) linmin: converged after 3 iterations. iteration 96: trace = 0.002452511872111521 (0.10299% change) large trace change predicted (0.991276%) linmin: converged after 4 iterations. iteration 97: trace = 0.002425130456922245 (1.12273% change) linmin: converged after 3 iterations. iteration 98: trace = 0.002414082465642957 (0.456603% change) large trace change predicted (2.45505%) linmin: converged after 6 iterations. iteration 99: trace = 0.00232926143884425 (3.57642% change) linmin: converged after 3 iterations. iteration 100: trace = 0.002325777946603649 (0.149665% change) large trace change predicted (2.34227%) linmin: converged after 6 iterations. iteration 101: trace = 0.002229897091235998 (4.20929% change) linmin: converged after 3 iterations. iteration 102: trace = 0.002223845139965056 (0.271769% change) large trace change predicted (1.18253%) linmin: converged after 6 iterations. iteration 103: trace = 0.002188150132802064 (1.61809% change) linmin: converged after 3 iterations. iteration 104: trace = 0.002182874759977945 (0.241379% change) large trace change predicted (0.876822%) linmin: converged after 5 iterations. iteration 105: trace = 0.002159129103806193 (1.09376% change) linmin: converged after 6 iterations. iteration 106: trace = 0.002089786152922282 (3.26403% change) linmin: converged after 4 iterations. iteration 107: trace = 0.002082927080804095 (0.328758% change) large trace change predicted (0.745454%) linmin: converged after 5 iterations. iteration 108: trace = 0.002064496299123318 (0.888782% change) linmin: converged after 5 iterations. iteration 109: trace = 0.002041753068920313 (1.10774% change) linmin: converged after 3 iterations. iteration 110: trace = 0.002039571461126356 (0.106907% change) large trace change predicted (0.360866%) linmin: converged after 4 iterations. iteration 111: trace = 0.00203162291519282 (0.390477% change) large trace change predicted (1.05067%) linmin: converged after 5 iterations. iteration 112: trace = 0.002004428314296047 (1.34758% change) linmin: converged after 3 iterations. iteration 113: trace = 0.001999407692206722 (0.250791% change) linmin: converged after 3 iterations. iteration 114: trace = 0.001995360220819478 (0.202639% change) large trace change predicted (0.94685%) linmin: converged after 5 iterations. iteration 115: trace = 0.001971823715558564 (1.18656% change) linmin: converged after 4 iterations. iteration 116: trace = 0.001962095654760598 (0.494573% change) linmin: converged after 3 iterations. iteration 117: trace = 0.001959076236913126 (0.154006% change) large trace change predicted (0.748967%) linmin: converged after 5 iterations. iteration 118: trace = 0.001941712280395883 (0.890279% change) linmin: converged after 5 iterations. iteration 119: trace = 0.001923375463955263 (0.948843% change) linmin: converged after 3 iterations. iteration 120: trace = 0.001920556295701355 (0.146681% change) linmin: converged after 3 iterations. iteration 121: trace = 0.001918029912146249 (0.131631% change) large trace change predicted (0.549968%) linmin: converged after 4 iterations. iteration 122: trace = 0.001906201779161867 (0.618589% change) linmin: converged after 4 iterations. iteration 123: trace = 0.001898499562050229 (0.404879% change) linmin: converged after 3 iterations. iteration 124: trace = 0.001896557449814275 (0.10235% change) large trace change predicted (0.277058%) linmin: converged after 3 iterations. iteration 125: trace = 0.001891002137458801 (0.293345% change) large trace change predicted (0.718159%) linmin: converged after 5 iterations. iteration 126: trace = 0.001875212231809554 (0.838503% change) linmin: converged after 3 iterations. iteration 127: trace = 0.001869456093758295 (0.307431% change) linmin: converged after 3 iterations. iteration 128: trace = 0.001867923188187034 (0.082031% change) large trace change predicted (0.22535%) linmin: converged after 3 iterations. iteration 129: trace = 0.001863513871651646 (0.236333% change) large trace change predicted (0.500516%) linmin: converged after 4 iterations. iteration 130: trace = 0.001853142211517864 (0.558118% change) linmin: converged after 3 iterations. iteration 131: trace = 0.001849375854526385 (0.203448% change) linmin: converged after 3 iterations. iteration 132: trace = 0.001848037517131958 (0.0723932% change) large trace change predicted (0.20788%) linmin: converged after 3 iterations. iteration 133: trace = 0.001844026901769776 (0.217256% change) linmin: converged after 4 iterations. iteration 134: trace = 0.001836311623647581 (0.41927% change) linmin: converged after 3 iterations. iteration 135: trace = 0.001833761470105556 (0.13897% change) linmin: converged after 3 iterations. iteration 136: trace = 0.001832871786061251 (0.0485287% change) large trace change predicted (0.135932%) linmin: converged after 3 iterations. iteration 137: trace = 0.001830312047116603 (0.139755% change) large trace change predicted (0.311765%) linmin: converged after 4 iterations. iteration 138: trace = 0.001824235934785314 (0.332523% change) linmin: converged after 3 iterations. iteration 139: trace = 0.001821681787552322 (0.14011% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 0.001821340978755483 (0.0187102% change) large trace change predicted (0.0804528%) linmin: converged after 3 iterations. iteration 141: trace = 0.001819877066132478 (0.0804079% change) large trace change predicted (0.409916%) linmin: converged after 3 iterations. iteration 142: trace = 0.001812499503892364 (0.406211% change) linmin: converged after 3 iterations. iteration 143: trace = 0.001811454519148888 (0.057671% change) large trace change predicted (0.477167%) linmin: converged after 4 iterations. iteration 144: trace = 0.001802735963199116 (0.482462% change) linmin: converged after 2 iterations. iteration 145: trace = 0.001802528129060389 (0.0115295% change) large trace change predicted (0.204614%) linmin: converged after 4 iterations. iteration 146: trace = 0.001798817730664685 (0.206056% change) linmin: converged after 2 iterations. iteration 147: trace = 0.001797914790903732 (0.0502089% change) linmin: converged after 2 iterations. iteration 148: trace = 0.001797855061937365 (0.00332218% change) large trace change predicted (0.0666456%) linmin: converged after 3 iterations. iteration 149: trace = 0.001796663044742081 (0.0663242% change) linmin: converged after 2 iterations. iteration 150: trace = 0.001796554124385083 (0.00606255% change) large trace change predicted (0.0339861%) linmin: converged after 3 iterations. iteration 151: trace = 0.001795941681918807 (0.0340957% change) linmin: converged after 3 iterations. iteration 152: trace = 0.001795556193835764 (0.0214667% change) linmin: converged after 2 iterations. iteration 153: trace = 0.001795537946428974 (0.00101626% change) large trace change predicted (0.0137742%) linmin: converged after 3 iterations. iteration 154: trace = 0.001795291078519722 (0.0137499% change) linmin: converged after 3 iterations. iteration 155: trace = 0.001795240452711556 (0.00281996% change) linmin: converged after 3 iterations. iteration 156: trace = 0.001795226987864461 (0.000750033% change) large trace change predicted (0.00308087%) linmin: converged after 3 iterations. iteration 157: trace = 0.001795171693735686 (0.00308011% change) linmin: converged after 2 iterations. iteration 158: trace = 0.001795171107873165 (3.26355e-05% change) large trace change predicted (0.000971063%) linmin: converged after 2 iterations. iteration 159: trace = 0.001795153665886346 (0.000971611% change) linmin: converged after 2 iterations. iteration 160: trace = 0.001795145309849778 (0.000465479% change) linmin: converged after 2 iterations. iteration 161: trace = 0.00179513965313019 (0.000315113% change) linmin: converged after 2 iterations. iteration 162: trace = 0.001795132316401178 (0.0004087% change) linmin: converged after 2 iterations. iteration 163: trace = 0.001795130761270238 (8.66305e-05% change) large trace change predicted (0.000263293%) linmin: converged after 2 iterations. iteration 164: trace = 0.001795126034816844 (0.000263293% change) linmin: converged after 2 iterations. iteration 165: trace = 0.001795120368150627 (0.00031567% change) linmin: converged after 2 iterations. iteration 166: trace = 0.001795120265519393 (5.71723e-06% change) large trace change predicted (0.000128194%) linmin: converged after 2 iterations. iteration 167: trace = 0.0017951179643805 (0.000128189% change) linmin: converged after 2 iterations. iteration 168: trace = 0.001795116608932586 (7.55075e-05% change) linmin: converged after 2 iterations. iteration 169: trace = 0.00179511627836147 (1.8415e-05% change) large trace change predicted (0.000128111%) linmin: converged after 2 iterations. iteration 170: trace = 0.001795113978637384 (0.00012811% change) linmin: converged after 2 iterations. iteration 171: trace = 0.001795113633503659 (1.92263e-05% change) large trace change predicted (0.000217276%) linmin: converged after 2 iterations. iteration 172: trace = 0.001795109733048387 (0.000217282% change) linmin: converged after 2 iterations. iteration 173: trace = 0.001795108024776292 (9.51626e-05% change) linmin: converged after 2 iterations. iteration 174: trace = 0.00179510771385997 (1.73202e-05% change) linmin: converged after 2 iterations. iteration 175: trace = 0.001795107475576205 (1.32741e-05% change) linmin: converged after 2 iterations. iteration 176: trace = 0.001795107189144143 (1.59563e-05% change) large trace change predicted (4.80671e-05%) linmin: converged after 2 iterations. iteration 177: trace = 0.00179510632617456 (4.80734e-05% change) linmin: converged after 3 iterations. iteration 178: trace = 0.001795105301167742 (5.71001e-05% change) linmin: converged after 2 iterations. iteration 179: trace = 0.00179510525712836 (2.4533e-06% change) large trace change predicted (6.13335e-05%) linmin: converged after 2 iterations. iteration 180: trace = 0.001795104156147833 (6.13324e-05% change) linmin: converged after 2 iterations. iteration 181: trace = 0.001795103906910061 (1.38843e-05% change) linmin: converged after 2 iterations. iteration 182: trace = 0.001795103753578124 (8.54168e-06% change) large trace change predicted (2.98372e-05%) linmin: converged after 2 iterations. iteration 183: trace = 0.001795103217903729 (2.98409e-05% change) linmin: converged after 2 iterations. iteration 184: trace = 0.001795103166259423 (2.87695e-06% change) large trace change predicted (3.00403e-05%) linmin: converged after 3 iterations. iteration 185: trace = 0.001795102627068015 (3.00368e-05% change) linmin: converged after 2 iterations. iteration 186: trace = 0.001795102523467903 (5.77126e-06% change) linmin: converged after 1 iterations. iteration 187: trace = 0.001795102514608244 (4.93546e-07% change) Finished solving for bands 1 to 1 after 187 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.282209 elapsed time for k point: 0.9256808757781982 total elapsed time for run: 0.9321348667144775 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.00645136833190918 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.013963968885107 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327343044449466 (5.07052% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01314818569010378 (0.948048% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01141846578827399 (14.0819% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01061430622937801 (7.29967% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0102347107119679 (3.64138% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009988837075719608 (2.43156% change) linmin: converged after 7 iterations. iteration 8: trace = 0.009059508094124929 (9.75758% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008774558877248347 (3.19556% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008664466957180424 (1.26259% change) large trace change predicted (5.16734%) linmin: converged after 8 iterations. iteration 11: trace = 0.007650222378831909 (12.4335% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007407584235922479 (3.22276% change) linmin: converged after 5 iterations. iteration 13: trace = 0.007287287721444142 (1.63726% change) large trace change predicted (4.46443%) linmin: converged after 8 iterations. iteration 14: trace = 0.006585376156714772 (10.1193% change) linmin: converged after 5 iterations. iteration 15: trace = 0.006385665995861183 (3.07932% change) linmin: converged after 5 iterations. iteration 16: trace = 0.006173327684014537 (3.38145% change) large trace change predicted (7.03964%) linmin: converged after 6 iterations. iteration 17: trace = 0.005372344447181201 (13.875% change) linmin: converged after 5 iterations. iteration 18: trace = 0.005203493896296876 (3.19314% change) linmin: converged after 3 iterations. iteration 19: trace = 0.005158140160565367 (0.875417% change) large trace change predicted (7.03307%) linmin: converged after 6 iterations. iteration 20: trace = 0.004551124706256455 (12.5038% change) linmin: converged after 6 iterations. iteration 21: trace = 0.004053087734012703 (11.5766% change) linmin: converged after 4 iterations. iteration 22: trace = 0.003982686104546883 (1.75221% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003851118513789621 (3.35897% change) linmin: converged after 6 iterations. iteration 24: trace = 0.003554514950175319 (8.01021% change) linmin: converged after 4 iterations. iteration 25: trace = 0.003482282941089456 (2.05298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.003443376782551548 (1.12354% change) large trace change predicted (5.80293%) linmin: converged after 6 iterations. iteration 27: trace = 0.003167191653530731 (8.35587% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002727294773792319 (14.9257% change) linmin: converged after 4 iterations. iteration 29: trace = 0.00261408919836408 (4.23881% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002578888610947004 (1.3557% change) large trace change predicted (3.42483%) linmin: converged after 4 iterations. iteration 31: trace = 0.002480493356273773 (3.88962% change) linmin: converged after 4 iterations. iteration 32: trace = 0.002367651133012123 (4.65507% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00233796629705678 (1.26168% change) linmin: converged after 3 iterations. iteration 34: trace = 0.002309522256886928 (1.22406% change) large trace change predicted (5.26705%) linmin: converged after 5 iterations. iteration 35: trace = 0.002163759017492219 (6.51706% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001939452304785408 (10.9332% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00186957222999906 (3.66918% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001846153068852122 (1.26054% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001797037323885004 (2.6963% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001701311179774289 (5.47265% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001657879763084735 (2.58583% change) linmin: converged after 3 iterations. iteration 42: trace = 0.001643731377042975 (0.85706% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001620701965208401 (1.41093% change) large trace change predicted (3.46706%) linmin: converged after 4 iterations. iteration 44: trace = 0.00155921515695374 (3.8672% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001512999776482627 (3.0086% change) linmin: converged after 3 iterations. iteration 46: trace = 0.001497753787335442 (1.01277% change) linmin: converged after 3 iterations. iteration 47: trace = 0.001482591473434224 (1.01749% change) large trace change predicted (3.11595%) linmin: converged after 3 iterations. iteration 48: trace = 0.001433496093899474 (3.36721% change) linmin: converged after 4 iterations. iteration 49: trace = 0.001357637973043123 (5.43565% change) linmin: converged after 3 iterations. iteration 50: trace = 0.001326948326801945 (2.28636% change) linmin: converged after 4 iterations. iteration 51: trace = 0.001316932853658683 (0.757634% change) linmin: converged after 4 iterations. iteration 52: trace = 0.00130499859355095 (0.910341% change) linmin: converged after 3 iterations. iteration 53: trace = 0.001282234360753415 (1.75974% change) linmin: converged after 3 iterations. iteration 54: trace = 0.001266870293558345 (1.20545% change) linmin: converged after 4 iterations. iteration 55: trace = 0.001261655054987313 (0.412512% change) linmin: converged after 4 iterations. iteration 56: trace = 0.00125677986338564 (0.38716% change) large trace change predicted (1.2699%) linmin: converged after 3 iterations. iteration 57: trace = 0.001240453870881619 (1.30753% change) large trace change predicted (2.87445%) linmin: converged after 3 iterations. iteration 58: trace = 0.001202896860403951 (3.07422% change) linmin: converged after 3 iterations. iteration 59: trace = 0.001179735208772778 (1.94421% change) linmin: converged after 4 iterations. iteration 60: trace = 0.001172296235977517 (0.632557% change) linmin: converged after 4 iterations. iteration 61: trace = 0.001166242359716823 (0.517749% change) large trace change predicted (1.07992%) linmin: converged after 3 iterations. iteration 62: trace = 0.001153409487711424 (1.10645% change) linmin: converged after 3 iterations. iteration 63: trace = 0.001139191286254316 (1.24036% change) linmin: converged after 4 iterations. iteration 64: trace = 0.001133617688685817 (0.490459% change) linmin: converged after 4 iterations. iteration 65: trace = 0.001130985118687525 (0.232497% change) linmin: converged after 4 iterations. iteration 66: trace = 0.001126199418161235 (0.424042% change) large trace change predicted (1.0217%) linmin: converged after 4 iterations. iteration 67: trace = 0.001114492081979881 (1.04498% change) linmin: converged after 4 iterations. iteration 68: trace = 0.001104425130402338 (0.907375% change) linmin: converged after 4 iterations. iteration 69: trace = 0.001100671902350251 (0.340414% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.001099857642964197 (0.0740058% change) large trace change predicted (0.448655%) linmin: converged after 3 iterations. iteration 71: trace = 0.001094930579150081 (0.448979% change) linmin: converged after 3 iterations. iteration 72: trace = 0.001092058041034646 (0.262693% change) large trace change predicted (1.1343%) linmin: converged after 3 iterations. iteration 73: trace = 0.001079697301944866 (1.13832% change) linmin: converged after 3 iterations. iteration 74: trace = 0.001075945706008446 (0.348072% change) large trace change predicted (5.69647%) linmin: converged after 3 iterations. iteration 75: trace = 0.001015472061314714 (5.78303% change) linmin: converged after 4 iterations. iteration 76: trace = 0.001011722488235073 (0.369927% change) linmin: converged after 2 iterations. iteration 77: trace = 0.001006696724642162 (0.49799% change) linmin: converged after 3 iterations. iteration 78: trace = 0.001006471831578985 (0.0223422% change) large trace change predicted (0.321601%) linmin: converged after 3 iterations. iteration 79: trace = 0.001003240532948339 (0.321568% change) large trace change predicted (0.843447%) linmin: converged after 3 iterations. iteration 80: trace = 0.0009948316941740013 (0.841695% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0009932059482039139 (0.163553% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0009920100956325559 (0.120476% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0009909098472246269 (0.110973% change) large trace change predicted (0.343974%) linmin: converged after 3 iterations. iteration 84: trace = 0.0009875186028339726 (0.342822% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0009868351271945317 (0.0692354% change) large trace change predicted (0.23392%) linmin: converged after 3 iterations. iteration 86: trace = 0.0009845322568589683 (0.233632% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0009832644457029389 (0.128856% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0009830636446443047 (0.020424% change) large trace change predicted (0.143137%) linmin: converged after 4 iterations. iteration 89: trace = 0.000981654287726127 (0.143467% change) linmin: converged after 4 iterations. iteration 90: trace = 0.0009807285600283054 (0.0943473% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0009801262096658643 (0.0614375% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0009797003662757565 (0.0434573% change) large trace change predicted (0.150715%) linmin: converged after 4 iterations. iteration 93: trace = 0.0009782177342185247 (0.15145% change) linmin: converged after 4 iterations. iteration 94: trace = 0.0009773746219149113 (0.0862258% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0009769392448670227 (0.0445555% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0009766854231881596 (0.0259847% change) large trace change predicted (0.0932274%) linmin: converged after 4 iterations. iteration 97: trace = 0.0009757710907702626 (0.0936597% change) linmin: converged after 4 iterations. iteration 98: trace = 0.000974760338555612 (0.103639% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0009746951131747228 (0.00669165% change) large trace change predicted (0.066841%) linmin: converged after 4 iterations. iteration 100: trace = 0.0009740429646619571 (0.0669303% change) linmin: converged after 2 iterations. iteration 101: trace = 0.000973903057995954 (0.0143645% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0009736734114930696 (0.0235828% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0009736547111648292 (0.00192061% change) large trace change predicted (0.0320894%) linmin: converged after 4 iterations. iteration 104: trace = 0.000973341966809752 (0.0321258% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0009731524760046547 (0.01947% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0009729383974931011 (0.0220009% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0009728422982404363 (0.00987771% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000972773850866935 (0.00703606% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0009727199318841234 (0.00554296% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0009727001609085182 (0.00203257% change) large trace change predicted (0.00486823%) linmin: converged after 2 iterations. iteration 111: trace = 0.0009726527881008878 (0.00487036% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0009726459001020127 (0.000708169% change) large trace change predicted (0.0028796%) linmin: converged after 2 iterations. iteration 113: trace = 0.0009726178782572927 (0.00288103% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0009726136550693561 (0.000434209% change) large trace change predicted (0.0044832%) linmin: converged after 2 iterations. iteration 115: trace = 0.0009725700210456027 (0.00448637% change) linmin: converged after 3 iterations. iteration 116: trace = 0.0009725477186011459 (0.00229317% change) linmin: converged after 3 iterations. iteration 117: trace = 0.0009725169993835423 (0.00315868% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0009725054398541233 (0.00118863% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0009724922314134557 (0.0013582% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000972485898755359 (0.00065118% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0009724828068150201 (0.000317942% change) large trace change predicted (0.000766325%) linmin: converged after 2 iterations. iteration 122: trace = 0.0009724753544886667 (0.000766323% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0009724751391760871 (2.21407e-05% change) large trace change predicted (0.000487741%) linmin: converged after 3 iterations. iteration 124: trace = 0.0009724703967831301 (0.000487663% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0009724695722731794 (8.47851e-05% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0009724686023173732 (9.97416e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0009724683963285693 (2.11821e-05% change) large trace change predicted (0.000182956%) linmin: converged after 2 iterations. iteration 128: trace = 0.0009724666170982419 (0.00018296% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0009724665630290224 (5.56001e-06% change) large trace change predicted (8.58149e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0009724657284832416 (8.58175e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0009724651010359192 (6.45213e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0009724646247807202 (4.8974e-05% change) large trace change predicted (0.000202977%) linmin: converged after 2 iterations. iteration 133: trace = 0.0009724626509295809 (0.000202974% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0009724620375443918 (6.30755e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0009724615331305616 (5.18698e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0009724608659776705 (6.86046e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0009724601155291436 (7.71701e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0009724600796040628 (3.69425e-06% change) large trace change predicted (1.51509e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0009724599322679013 (1.51509e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0009724599005561722 (3.26098e-06% change) linmin: converged after 2 iterations. iteration 141: trace = 0.0009724598673352763 (3.41617e-06% change) large trace change predicted (1.39418e-05%) linmin: converged after 2 iterations. iteration 142: trace = 0.0009724597317585379 (1.39416e-05% change) linmin: converged after 2 iterations. iteration 143: trace = 0.0009724596502114002 (8.38566e-06% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0009724596426331552 (7.79286e-07% change) Finished solving for bands 1 to 1 after 144 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.301374 elapsed time for k point: 0.7346746921539307 total elapsed time for run: 0.7412078380584717 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.011050224304199219 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396244070952001 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327734802514247 (5.03009% change) linmin: converged after 6 iterations. iteration 3: trace = 0.01312938938238583 (1.12061% change) near maximum in trace linmin: converged after 7 iterations. iteration 4: trace = 0.01143971570355311 (13.7545% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01056618625955128 (7.93905% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0100894235250991 (4.6163% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009853432413965239 (2.36667% change) linmin: converged after 9 iterations. iteration 8: trace = 0.008796447371225856 (11.335% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008458573891943778 (3.91623% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008228863764816385 (2.75309% change) large trace change predicted (6.26136%) linmin: converged after 8 iterations. iteration 11: trace = 0.006959104851753761 (16.7206% change) linmin: converged after 5 iterations. iteration 12: trace = 0.00673167590201818 (3.32237% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006525014649972332 (3.11784% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005693152944009995 (13.6168% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005504795126196015 (3.36415% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005182224286174116 (6.03668% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004410551313898079 (16.0886% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004283910857905518 (2.91313% change) linmin: converged after 4 iterations. iteration 19: trace = 0.004224603983459523 (1.39406% change) large trace change predicted (9.32565%) linmin: converged after 6 iterations. iteration 20: trace = 0.003556460288190122 (17.1736% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003124334182187236 (12.9364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003069228500152332 (1.77945% change) large trace change predicted (3.71325%) linmin: converged after 5 iterations. iteration 23: trace = 0.002934336282953766 (4.49374% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00264233173308252 (10.4724% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002571579567269919 (2.71398% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002533478244798919 (1.49269% change) large trace change predicted (7.65005%) linmin: converged after 5 iterations. iteration 27: trace = 0.002278678035554091 (10.5899% change) linmin: converged after 6 iterations. iteration 28: trace = 0.001883039953473477 (19.0132% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001791571188507326 (4.97842% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001767270133709125 (1.36567% change) large trace change predicted (3.86857%) linmin: converged after 4 iterations. iteration 31: trace = 0.00169217116207442 (4.34168% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001555831949290188 (8.39526% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001511411252316229 (2.89646% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001486905418581334 (1.63464% change) large trace change predicted (5.92327%) linmin: converged after 4 iterations. iteration 35: trace = 0.001387435430392555 (6.92124% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001194026459248926 (14.9845% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001122562343194793 (6.16977% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001099956477424317 (2.03426% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001059182240514918 (3.7769% change) linmin: converged after 4 iterations. iteration 40: trace = 0.0009866837679004818 (7.08731% change) linmin: converged after 3 iterations. iteration 41: trace = 0.0009558629208419246 (3.17324% change) linmin: converged after 4 iterations. iteration 42: trace = 0.0009452267884309858 (1.11895% change) linmin: converged after 3 iterations. iteration 43: trace = 0.0009243211032326439 (2.23644% change) large trace change predicted (6.26126%) linmin: converged after 4 iterations. iteration 44: trace = 0.0008615593031079486 (7.02867% change) linmin: converged after 3 iterations. iteration 45: trace = 0.0008134176826413665 (5.74833% change) linmin: converged after 4 iterations. iteration 46: trace = 0.0007986283255418251 (1.83486% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0007852627945740037 (1.68768% change) large trace change predicted (4.77797%) linmin: converged after 3 iterations. iteration 48: trace = 0.0007461125163437629 (5.11309% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0006970945357500939 (6.79292% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0006808926183566773 (2.35153% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0006752932687867483 (0.82575% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0006660950936484398 (1.37144% change) large trace change predicted (3.11166%) linmin: converged after 3 iterations. iteration 53: trace = 0.0006448656203036437 (3.23877% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0006304610544465145 (2.25896% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0006258397561783901 (0.735699% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0006213724158645289 (0.716372% change) large trace change predicted (2.22111%) linmin: converged after 4 iterations. iteration 57: trace = 0.0006073554439309521 (2.28154% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0005849991898567178 (3.74993% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0005750384421344878 (1.71731% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0005705355312952852 (0.786141% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0005627759095241983 (1.36937% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0005488357745412257 (2.50809% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0005415218646086128 (1.34156% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0005394069954728243 (0.391306% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0005374974140719988 (0.354643% change) large trace change predicted (1.05234%) linmin: converged after 4 iterations. iteration 66: trace = 0.0005318034221307215 (1.06499% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0005225513688562095 (1.75502% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0005182232127308791 (0.831718% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0005162072680211521 (0.389769% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0005155092907337273 (0.135304% change) large trace change predicted (0.688124%) linmin: converged after 3 iterations. iteration 71: trace = 0.0005119637368373891 (0.69015% change) linmin: converged after 2 iterations. iteration 72: trace = 0.0005116082162762452 (0.0694666% change) large trace change predicted (2.65047%) linmin: converged after 3 iterations. iteration 73: trace = 0.0004980720955581289 (2.68127% change) linmin: converged after 2 iterations. iteration 74: trace = 0.0004962593830387063 (0.364609% change) large trace change predicted (4.18178%) linmin: converged after 3 iterations. iteration 75: trace = 0.0004755685305165733 (4.25813% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0004613074630966258 (3.04439% change) linmin: converged after 3 iterations. iteration 77: trace = 0.000461086796861826 (0.0478464% change) large trace change predicted (0.213803%) linmin: converged after 3 iterations. iteration 78: trace = 0.0004601018611198662 (0.21384% change) large trace change predicted (1.00026%) linmin: converged after 3 iterations. iteration 79: trace = 0.0004555175354524014 (1.00136% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0004514547054394601 (0.895911% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0004512636246072304 (0.0423345% change) large trace change predicted (0.206391%) linmin: converged after 3 iterations. iteration 82: trace = 0.0004503349945097374 (0.205996% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0004501374789181844 (0.0438693% change) large trace change predicted (0.562754%) linmin: converged after 3 iterations. iteration 84: trace = 0.0004476360710495486 (0.557247% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0004475864327812843 (0.0110896% change) large trace change predicted (0.12546%) linmin: converged after 3 iterations. iteration 86: trace = 0.0004470257239683097 (0.125352% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0004469825667575035 (0.00965477% change) large trace change predicted (0.115451%) linmin: converged after 2 iterations. iteration 88: trace = 0.0004464661248478511 (0.115606% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0004464504551906729 (0.00350977% change) large trace change predicted (0.177837%) linmin: converged after 4 iterations. iteration 90: trace = 0.0004456538746359608 (0.178585% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0004456257171319219 (0.00631844% change) large trace change predicted (0.074741%) linmin: converged after 4 iterations. iteration 92: trace = 0.0004452924589958601 (0.0748123% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0004452687856063663 (0.00531651% change) large trace change predicted (0.113007%) linmin: converged after 3 iterations. iteration 94: trace = 0.0004447657260542227 (0.113043% change) linmin: converged after 2 iterations. iteration 95: trace = 0.000444726767362233 (0.00875976% change) large trace change predicted (0.105917%) linmin: converged after 2 iterations. iteration 96: trace = 0.0004442556986460133 (0.105979% change) linmin: converged after 2 iterations. iteration 97: trace = 0.000444245580605219 (0.00227755% change) large trace change predicted (0.0817138%) linmin: converged after 3 iterations. iteration 98: trace = 0.0004438810888303023 (0.082081% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0004438500905866564 (0.0069837% change) large trace change predicted (0.0240443%) linmin: converged after 2 iterations. iteration 100: trace = 0.000443743225500733 (0.0240797% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0004437391651983546 (0.000915016% change) large trace change predicted (0.0185711%) linmin: converged after 2 iterations. iteration 102: trace = 0.0004436567046655417 (0.0185848% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0004436180975631598 (0.0087024% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0004435965954249043 (0.00484711% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0004435901010886317 (0.00146403% change) large trace change predicted (0.0143213%) linmin: converged after 3 iterations. iteration 106: trace = 0.0004435266121585175 (0.0143135% change) linmin: converged after 3 iterations. iteration 107: trace = 0.0004434983515581526 (0.006372% change) linmin: converged after 3 iterations. iteration 108: trace = 0.0004434761005167122 (0.00501729% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000443471473101567 (0.00104345% change) large trace change predicted (0.00742987%) linmin: converged after 2 iterations. iteration 110: trace = 0.0004434385151229819 (0.00743209% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0004434252055766774 (0.00300149% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0004434206868132132 (0.00101906% change) linmin: converged after 2 iterations. iteration 113: trace = 0.000443413692435694 (0.00157738% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0004434078981871981 (0.00130675% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0004434060803081369 (0.00040998% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0004434035864054549 (0.000562444% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0004433997721779061 (0.000860219% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0004433993922834409 (8.56777e-05% change) large trace change predicted (0.000765319%) linmin: converged after 2 iterations. iteration 119: trace = 0.0004433959989793184 (0.000765296% change) linmin: converged after 2 iterations. iteration 120: trace = 0.000443393710753055 (0.00051607% change) linmin: converged after 2 iterations. iteration 121: trace = 0.00044339255522473 (0.00026061% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0004433924380077656 (2.64364e-05% change) large trace change predicted (0.000654702%) linmin: converged after 2 iterations. iteration 123: trace = 0.0004433895351567819 (0.000654693% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0004433889271465858 (0.000137128% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0004433880632293057 (0.000194844% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0004433880312280366 (7.21744e-06% change) large trace change predicted (9.11993e-05%) linmin: converged after 2 iterations. iteration 127: trace = 0.0004433876268650916 (9.11985e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0004433874490725832 (4.00987e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0004433873033573146 (3.28641e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0004433872992476595 (9.26877e-07% change) Finished solving for bands 1 to 1 after 130 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.317732 elapsed time for k point: 0.6314904689788818 total elapsed time for run: 0.6426475048065186 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.008170366287231445 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396317243285668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327582341516151 (5.0468% change) linmin: converged after 5 iterations. iteration 3: trace = 0.0131392180270813 (1.0343% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142281205604164 (13.9761% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01058525607515258 (7.61135% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01015898370438056 (4.10979% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009918237309124136 (2.3982% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008927971076747502 (10.5089% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008614717279949852 (3.57133% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008466233313039572 (1.73859% change) large trace change predicted (5.78164%) linmin: converged after 8 iterations. iteration 11: trace = 0.007282511328252523 (15.0326% change) linmin: converged after 5 iterations. iteration 12: trace = 0.007044999188587252 (3.31547% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006874592946480029 (2.44844% change) linmin: converged after 8 iterations. iteration 14: trace = 0.006133148163783014 (11.4001% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00596154977038677 (2.83758% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005645565245977392 (5.44467% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004830936611362561 (15.5515% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004686994043991938 (3.02466% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004633898349406407 (1.13928% change) large trace change predicted (8.32154%) linmin: converged after 6 iterations. iteration 20: trace = 0.003985702635394283 (15.04% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003535474708266895 (11.9723% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003476369469566703 (1.68587% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003338185922812975 (4.05554% change) linmin: converged after 6 iterations. iteration 24: trace = 0.00304023988603604 (9.34231% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002968314177461078 (2.39411% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002929179324367631 (1.32717% change) large trace change predicted (6.73473%) linmin: converged after 5 iterations. iteration 27: trace = 0.00266516322242606 (9.43868% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00226371610808418 (16.2896% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002168934509313738 (4.27652% change) linmin: converged after 3 iterations. iteration 30: trace = 0.00214077639914179 (1.30673% change) large trace change predicted (3.62381%) linmin: converged after 4 iterations. iteration 31: trace = 0.002054832936511166 (4.09683% change) linmin: converged after 4 iterations. iteration 32: trace = 0.001928675147154582 (6.334% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001891060682966421 (1.96948% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001863419993347732 (1.47241% change) large trace change predicted (5.5606%) linmin: converged after 5 iterations. iteration 35: trace = 0.001742904243219416 (6.68358% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001553603642031292 (11.4849% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00149051835858315 (4.14473% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001465056863554563 (1.72295% change) large trace change predicted (3.54511%) linmin: converged after 4 iterations. iteration 39: trace = 0.001409511516369738 (3.8646% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001324643607082073 (6.20798% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001293109867389404 (2.40922% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001281892836952946 (0.871225% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001258915302834804 (1.80868% change) large trace change predicted (4.91517%) linmin: converged after 4 iterations. iteration 44: trace = 0.001191045275990163 (5.5405% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001138499727154077 (4.51123% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00112217005831717 (1.44468% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001108595699098917 (1.21701% change) large trace change predicted (3.33729%) linmin: converged after 3 iterations. iteration 48: trace = 0.001069901372311806 (3.55239% change) linmin: converged after 3 iterations. iteration 49: trace = 0.001014621259259575 (5.30386% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0009931819912349258 (2.13559% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0009855932452828896 (0.767014% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0009747198764360718 (1.10935% change) large trace change predicted (2.27865%) linmin: converged after 3 iterations. iteration 53: trace = 0.0009518762291513457 (2.3714% change) linmin: converged after 3 iterations. iteration 54: trace = 0.0009362068769205437 (1.65982% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0009309620734048508 (0.561792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0009261399277891347 (0.519319% change) large trace change predicted (1.55474%) linmin: converged after 4 iterations. iteration 57: trace = 0.0009114740521548155 (1.59619% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000885157723534713 (2.92952% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0008716930715392432 (1.53282% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0008661342145990267 (0.639748% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0008582710080876835 (0.911991% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0008422283021135275 (1.88682% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0008310961554440692 (1.33054% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0008278256095158784 (0.394298% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0008259581513831269 (0.225841% change) large trace change predicted (0.54409%) linmin: converged after 4 iterations. iteration 66: trace = 0.0008214375662093993 (0.548816% change) large trace change predicted (1.31796%) linmin: converged after 4 iterations. iteration 67: trace = 0.000810457089246552 (1.34573% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0008022185029618069 (1.02173% change) linmin: converged after 4 iterations. iteration 69: trace = 0.000799064159193558 (0.393977% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007982674272893162 (0.0997579% change) large trace change predicted (0.511106%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007941909654360605 (0.511971% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007934194265668023 (0.097195% change) large trace change predicted (2.05123%) linmin: converged after 3 iterations. iteration 73: trace = 0.0007771906069134629 (2.06656% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0007749505868352607 (0.288636% change) large trace change predicted (3.32417%) linmin: converged after 3 iterations. iteration 75: trace = 0.0007492994742902132 (3.36574% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0007303048045902645 (2.56753% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0007296260899923329 (0.092979% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0007286441023607333 (0.134678% change) large trace change predicted (0.558198%) linmin: converged after 3 iterations. iteration 79: trace = 0.0007245873406189162 (0.558309% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0007180771875030859 (0.902518% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0007177753846900935 (0.0420381% change) large trace change predicted (0.226857%) linmin: converged after 3 iterations. iteration 82: trace = 0.0007161515296084835 (0.226491% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0007160330404445294 (0.0165466% change) large trace change predicted (0.465216%) linmin: converged after 3 iterations. iteration 84: trace = 0.0007127367071706359 (0.461423% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0007126620769587756 (0.0104715% change) large trace change predicted (0.165499%) linmin: converged after 3 iterations. iteration 86: trace = 0.0007114852716408983 (0.165265% change) linmin: converged after 2 iterations. iteration 87: trace = 0.0007114282832243191 (0.0080101% change) large trace change predicted (0.095004%) linmin: converged after 2 iterations. iteration 88: trace = 0.000710752335651195 (0.0950579% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0007107286747977002 (0.00332904% change) large trace change predicted (0.213089%) linmin: converged after 4 iterations. iteration 90: trace = 0.0007092078344352046 (0.214212% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0007089701515793524 (0.0335195% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0007085829024933058 (0.0546363% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0007085381993806709 (0.006309% change) large trace change predicted (0.0927125%) linmin: converged after 4 iterations. iteration 94: trace = 0.0007078806538429843 (0.0928462% change) linmin: converged after 4 iterations. iteration 95: trace = 0.0007072074075412233 (0.0951526% change) linmin: converged after 4 iterations. iteration 96: trace = 0.0007068181437316314 (0.0550575% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0007067093274619584 (0.0153964% change) large trace change predicted (0.0560665%) linmin: converged after 4 iterations. iteration 98: trace = 0.0007063118363032925 (0.0562612% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0007061403184928472 (0.0242865% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0007060950996106257 (0.00640387% change) large trace change predicted (0.0267454%) linmin: converged after 2 iterations. iteration 101: trace = 0.0007059060330955778 (0.0267799% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0007058881454635251 (0.00253403% change) large trace change predicted (0.0136289%) linmin: converged after 3 iterations. iteration 103: trace = 0.0007057919581194113 (0.0136274% change) linmin: converged after 3 iterations. iteration 104: trace = 0.0007057842514750095 (0.00109192% change) large trace change predicted (0.0186307%) linmin: converged after 3 iterations. iteration 105: trace = 0.0007056529475520776 (0.0186057% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0007056483369613913 (0.000653381% change) large trace change predicted (0.0148068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0007055439182106634 (0.0147987% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0007055329036022919 (0.00156116% change) large trace change predicted (0.0110758%) linmin: converged after 2 iterations. iteration 109: trace = 0.0007054546515592812 (0.0110918% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0007054502743526807 (0.000620482% change) large trace change predicted (0.00195447%) linmin: converged after 2 iterations. iteration 111: trace = 0.0007054364838129145 (0.00195488% change) linmin: converged after 3 iterations. iteration 112: trace = 0.00070542386447461 (0.00178889% change) linmin: converged after 3 iterations. iteration 113: trace = 0.0007054118291849119 (0.00170612% change) linmin: converged after 2 iterations. iteration 114: trace = 0.000705406589596326 (0.000742773% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0007054022952448521 (0.000608779% change) large trace change predicted (0.00136007%) linmin: converged after 2 iterations. iteration 116: trace = 0.0007053927001440852 (0.00136024% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0007053920786219404 (8.81101e-05% change) large trace change predicted (0.00165021%) linmin: converged after 2 iterations. iteration 118: trace = 0.0007053804353967307 (0.00165062% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0007053797879385894 (9.17885e-05% change) large trace change predicted (0.000677675%) linmin: converged after 3 iterations. iteration 120: trace = 0.0007053750082370517 (0.000677609% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0007053742081007403 (0.000113434% change) large trace change predicted (0.000715979%) linmin: converged after 3 iterations. iteration 122: trace = 0.0007053691586075229 (0.000715863% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0007053690877136361 (1.00506e-05% change) large trace change predicted (0.000338665%) linmin: converged after 2 iterations. iteration 124: trace = 0.0007053666990218524 (0.000338645% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0007053665919398855 (1.5181e-05% change) large trace change predicted (0.000210995%) linmin: converged after 2 iterations. iteration 126: trace = 0.0007053651035997121 (0.000211003% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0007053650603494803 (6.13161e-06% change) large trace change predicted (3.74998e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0007053647958367587 (3.75001e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0007053645526035715 (3.44833e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0007053644026624938 (2.12572e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0007053642119763844 (2.70337e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0007053641295694841 (1.16829e-05% change) large trace change predicted (3.47577e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0007053638844030276 (3.47574e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0007053638768681148 (1.06823e-06% change) large trace change predicted (6.4584e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0007053634213077322 (6.45852e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.000705363382080597 (5.56127e-06% change) large trace change predicted (2.17913e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0007053632283731705 (2.17912e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0007053632203734074 (1.13413e-06% change) large trace change predicted (1.65302e-05%) linmin: converged after 2 iterations. iteration 139: trace = 0.0007053631037760395 (1.65301e-05% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0007053630961879888 (1.07577e-06% change) large trace change predicted (8.44799e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0007053630365991247 (8.44797e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0007053630328314389 (5.34148e-07% change) Finished solving for bands 1 to 1 after 142 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.308953 elapsed time for k point: 0.6915755271911621 total elapsed time for run: 0.6998302936553955 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006394863128662109 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271668064178 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684595598254 (5.03584% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313324005126226 (1.08751% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143110159340448 (13.8586% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105716647670391 (7.81208% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011480006995593 (4.41704% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876896507317543 (2.38002% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008845869823225553 (11.0136% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008516806987345598 (3.79046% change) linmin: converged after 5 iterations. iteration 10: trace = 0.0083259027376308 (2.26691% change) large trace change predicted (6.10025%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074435671147812 (16.2525% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006841983821332298 (3.34068% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006643948104508374 (2.93692% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865142910620674 (12.4518% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690265827181827 (3.02676% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005358817859012478 (5.99956% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004559992561401731 (16.1073% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004422633268238755 (3.05833% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004367501599121268 (1.2544% change) large trace change predicted (8.81855%) linmin: converged after 6 iterations. iteration 20: trace = 0.00372526030351258 (15.872% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003275912354850025 (12.8364% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217291914329528 (1.80559% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089322841871505 (4.05825% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002788506790177374 (10.2356% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710327276287455 (2.84349% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002673641018528812 (1.3628% change) large trace change predicted (6.80645%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438399819545466 (9.20342% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002033628117715322 (18.1024% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001932625575514644 (5.0931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907447121669809 (1.31135% change) large trace change predicted (3.49617%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834380521685669 (3.9054% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169362700270968 (7.97921% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001645862013262594 (2.86062% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001621572416305719 (1.48677% change) large trace change predicted (5.19604%) linmin: converged after 4 iterations. iteration 35: trace = 0.00152683730460767 (6.01797% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331181621888311 (13.6917% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255055950247379 (5.88698% change) linmin: converged after 3 iterations. iteration 38: trace = 0.00123163863135193 (1.88341% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191185578475442 (3.33933% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001115731224133547 (6.54158% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001081930558997462 (3.07606% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001070713334826591 (1.04218% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050332277581847 (1.92179% change) large trace change predicted (5.53461%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009871633721356356 (6.20064% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009348499846279036 (5.4436% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009186091628567765 (1.75249% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009053624949768703 (1.45251% change) large trace change predicted (4.01003%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008674888829837042 (4.27262% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008159178079870348 (6.12699% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007976349713553913 (2.26616% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007916172097507311 (0.757307% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007826476374209466 (1.13953% change) large trace change predicted (2.68833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007610683319630357 (2.79576% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007448033462340947 (2.16021% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007395059081794688 (0.713792% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007349897230015674 (0.612574% change) large trace change predicted (1.82366%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007213725308723415 (1.87003% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006974056183515871 (3.37853% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006857685870887716 (1.68266% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006809629613036115 (0.703229% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000673706500779278 (1.07133% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006595597906839349 (2.12211% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006509089489947768 (1.32027% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006483901390010435 (0.387718% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006465124061252257 (0.290019% change) large trace change predicted (0.811341%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006412331173751737 (0.819927% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006311167036481185 (1.59019% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006255870591535534 (0.880024% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006232810581626358 (0.369295% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006225571731986008 (0.116209% change) large trace change predicted (0.609983%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006187620007011797 (0.611474% change) large trace change predicted (1.73973%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006080141760239587 (1.75221% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006035622678303802 (0.734895% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005956759419083705 (1.31522% change) large trace change predicted (2.85632%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005786878970696843 (2.89315% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005632744308379359 (2.69947% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005628726027644159 (0.0713633% change) large trace change predicted (0.145053%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005620566909415205 (0.14506% change) large trace change predicted (0.920718%) linmin: converged after 3 iterations. iteration 79: trace = 0.000556901268703327 (0.921468% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005530168479638756 (0.699947% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005523447937977833 (0.121599% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005519201577198722 (0.0769084% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005511154675303566 (0.145905% change) large trace change predicted (0.454137%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005486399805402559 (0.450189% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005483001043205825 (0.0619681% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005481437586057971 (0.0285187% change) large trace change predicted (0.103654%) linmin: converged after 3 iterations. iteration 87: trace = 0.000547576267322373 (0.103583% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005471173775120635 (0.0838389% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005469543549641633 (0.0298011% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005468753842729244 (0.0144393% change) large trace change predicted (0.179336%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005458908535775531 (0.180191% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005457402126023019 (0.0275992% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005454536841265851 (0.0525165% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005453725909014505 (0.0148682% change) large trace change predicted (0.0882481%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005448913918825748 (0.088272% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005447734720897967 (0.0216433% change) large trace change predicted (0.0981658%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005442386144206128 (0.0982281% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005442276851007091 (0.00200821% change) large trace change predicted (0.082279%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005437776922392897 (0.0827189% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005437640368095923 (0.00251125% change) large trace change predicted (0.0242661%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005436318787459453 (0.0243073% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005436266544384924 (0.000961006% change) large trace change predicted (0.0202723%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005435163780755752 (0.0202874% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005435111183291713 (0.00096773% change) large trace change predicted (0.0121753%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005434449567637905 (0.0121737% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005434410274724705 (0.000723037% change) large trace change predicted (0.0153686%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005433575837248268 (0.0153559% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005433559425935523 (0.000302036% change) large trace change predicted (0.0117648%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005432920431469617 (0.0117608% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005432896628366095 (0.000438128% change) large trace change predicted (0.00949573%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005432380426691929 (0.00950186% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005432331257739618 (0.000905113% change) large trace change predicted (0.00221037%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005432211163618246 (0.00221075% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005432204746704853 (0.000118127% change) large trace change predicted (0.00265795%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005432060353819213 (0.00265813% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005432036139747535 (0.000445763% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005431990785113428 (0.000834951% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000543197926406157 (0.000212097% change) large trace change predicted (0.000723263%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005431939976708296 (0.000723263% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005431920389551495 (0.000360593% change) large trace change predicted (0.00103864%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005431863971830759 (0.00103864% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005431852869783299 (0.000204388% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005431845310996196 (0.000139157% change) large trace change predicted (0.000337847%) linmin: converged after 2 iterations. iteration 124: trace = 0.0005431826959961974 (0.000337842% change) linmin: converged after 2 iterations. iteration 125: trace = 0.000543179521609897 (0.000584407% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005431788940633948 (0.000115532% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005431787781330771 (2.13429e-05% change) large trace change predicted (0.000240786%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005431774702791236 (0.000240778% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005431773353970666 (2.4832e-05% change) large trace change predicted (0.000112502%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005431767243155191 (0.000112501% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005431767142489218 (1.85328e-06% change) large trace change predicted (2.02553e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005431766042266928 (2.02553e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005431765741613742 (5.53509e-06% change) large trace change predicted (3.94766e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005431763597343601 (3.94765e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005431763503041117 (1.73613e-06% change) large trace change predicted (2.12872e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005431762346775193 (2.12871e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005431762149598008 (3.63008e-06% change) large trace change predicted (1.89982e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005431761117661102 (1.89982e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005431761082614662 (6.45213e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314172 elapsed time for k point: 0.6539597511291504 total elapsed time for run: 0.6604342460632324 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.007929086685180664 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396294122459342 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327637332042484 (5.04101% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313625235226447 (1.06102% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142626466081183 (13.9236% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057784268141234 (7.71149% change) linmin: converged after 6 iterations. iteration 6: trace = 0.0101363985755588 (4.26223% change) linmin: converged after 6 iterations. iteration 7: trace = 0.00989707820952058 (2.3892% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008886564416139161 (10.7595% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008565145991401027 (3.68352% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008397849844174292 (1.97248% change) large trace change predicted (5.94936%) linmin: converged after 8 iterations. iteration 11: trace = 0.007175141845432881 (15.7029% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006939886279340907 (3.33341% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006754220864507001 (2.71161% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005999068791962081 (11.8425% change) linmin: converged after 5 iterations. iteration 15: trace = 0.0058281432951154 (2.89038% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005499745249140956 (5.79805% change) linmin: converged after 5 iterations. iteration 17: trace = 0.004689705950892465 (15.8996% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004548216263075897 (3.06324% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004494400626857838 (1.19027% change) large trace change predicted (8.55502%) linmin: converged after 6 iterations. iteration 20: trace = 0.003852697661217761 (15.3755% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00340144141458563 (12.4413% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003342291500873249 (1.75422% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00321073386637918 (4.01517% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002909608419548036 (9.84015% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00283313570204534 (2.66328% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002795671508297314 (1.33116% change) large trace change predicted (6.68769%) linmin: converged after 5 iterations. iteration 27: trace = 0.002551161055532764 (9.14599% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002146624058585261 (17.2225% change) linmin: converged after 4 iterations. iteration 29: trace = 0.002047335440864749 (4.73484% change) linmin: converged after 3 iterations. iteration 30: trace = 0.002021075958936253 (1.2909% change) large trace change predicted (3.49827%) linmin: converged after 4 iterations. iteration 31: trace = 0.001943283503181491 (3.92459% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001807179549767166 (7.25798% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001763263473829649 (2.45998% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001737800359338515 (1.45459% change) large trace change predicted (5.25882%) linmin: converged after 4 iterations. iteration 35: trace = 0.001633741627736746 (6.17277% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001441114809892523 (12.5292% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001370755783738239 (5.00443% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001346317415236346 (1.79887% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001298937134882012 (3.58229% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001218627642660845 (6.37993% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001185961764721644 (2.71696% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001174813105179725 (0.944492% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001153265562994512 (1.8511% change) large trace change predicted (5.22719%) linmin: converged after 4 iterations. iteration 44: trace = 0.001087433671155279 (5.87601% change) linmin: converged after 4 iterations. iteration 45: trace = 0.001034298521885585 (5.00866% change) linmin: converged after 3 iterations. iteration 46: trace = 0.00101785103501322 (1.60295% change) linmin: converged after 4 iterations. iteration 47: trace = 0.001004519468269755 (1.31841% change) large trace change predicted (3.61609%) linmin: converged after 3 iterations. iteration 48: trace = 0.000966593968775963 (3.84813% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0009133188303399611 (5.66783% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008935369733063531 (2.18964% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008868840069756368 (0.747348% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008772749495186759 (1.08936% change) large trace change predicted (2.44609%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008552392129446339 (2.54379% change) linmin: converged after 3 iterations. iteration 54: trace = 0.000838952470009195 (1.92266% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0008335405326943089 (0.64717% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0008288283473223893 (0.566924% change) large trace change predicted (1.66737%) linmin: converged after 4 iterations. iteration 57: trace = 0.0008147725921400057 (1.71036% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007900793485051223 (3.07732% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007778204750160264 (1.56373% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007726674683073802 (0.664695% change) linmin: converged after 4 iterations. iteration 61: trace = 0.000764951390190671 (1.00364% change) linmin: converged after 3 iterations. iteration 62: trace = 0.0007496428368889608 (2.02147% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0007398684201165854 (1.31243% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0007370458134004406 (0.38223% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0007351918599742778 (0.251855% change) large trace change predicted (0.666574%) linmin: converged after 4 iterations. iteration 66: trace = 0.0007302607013486256 (0.672988% change) large trace change predicted (1.44705%) linmin: converged after 4 iterations. iteration 67: trace = 0.0007195516691341203 (1.4773% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000712771360890298 (0.946757% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0007101173341151617 (0.373048% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0007093654384212544 (0.105939% change) large trace change predicted (0.55778%) linmin: converged after 3 iterations. iteration 71: trace = 0.0007054115335799733 (0.558944% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0007043508284997924 (0.15048% change) large trace change predicted (2.1297%) linmin: converged after 3 iterations. iteration 73: trace = 0.000689387783738453 (2.14718% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006869429879500523 (0.355263% change) large trace change predicted (3.46402%) linmin: converged after 3 iterations. iteration 75: trace = 0.000663241973037774 (3.51078% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006461474496980401 (2.61107% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0006453825708277717 (0.118445% change) linmin: converged after 3 iterations. iteration 78: trace = 0.000644771042408771 (0.0947993% change) large trace change predicted (0.757839%) linmin: converged after 3 iterations. iteration 79: trace = 0.0006399009415597467 (0.758186% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0006345766138962792 (0.835531% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0006342779858428429 (0.0470705% change) large trace change predicted (0.197479%) linmin: converged after 3 iterations. iteration 82: trace = 0.0006330287779099248 (0.197144% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0006328503458957967 (0.028191% change) large trace change predicted (0.477008%) linmin: converged after 3 iterations. iteration 84: trace = 0.0006298664595372162 (0.472614% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0006297884416291778 (0.0123872% change) large trace change predicted (0.134896%) linmin: converged after 3 iterations. iteration 86: trace = 0.0006289405513806965 (0.134722% change) linmin: converged after 2 iterations. iteration 87: trace = 0.000628899974773689 (0.00645179% change) large trace change predicted (0.114108%) linmin: converged after 2 iterations. iteration 88: trace = 0.0006281819528922642 (0.114236% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0006281612812704136 (0.00329076% change) large trace change predicted (0.19915%) linmin: converged after 4 iterations. iteration 90: trace = 0.0006269048027433132 (0.200225% change) linmin: converged after 2 iterations. iteration 91: trace = 0.0006268416995436522 (0.0100663% change) large trace change predicted (0.0707117%) linmin: converged after 4 iterations. iteration 92: trace = 0.0006263980312008425 (0.0708034% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0006263687788696307 (0.00467004% change) large trace change predicted (0.100754%) linmin: converged after 2 iterations. iteration 94: trace = 0.0006257376260450361 (0.100815% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0006254476225700605 (0.0463566% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0006249214954457557 (0.0841555% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0006249085073483286 (0.00207838% change) large trace change predicted (0.0655912%) linmin: converged after 2 iterations. iteration 98: trace = 0.0006244969880428537 (0.0658744% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0006243594162144645 (0.0220316% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0006242411519433767 (0.0189435% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0006242120429824835 (0.0046632% change) large trace change predicted (0.0168475%) linmin: converged after 2 iterations. iteration 102: trace = 0.0006241068170756991 (0.0168588% change) linmin: converged after 3 iterations. iteration 103: trace = 0.000624013238722175 (0.0149951% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0006240067268226183 (0.00104356% change) large trace change predicted (0.0183095%) linmin: converged after 3 iterations. iteration 105: trace = 0.0006238926340011864 (0.0182856% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0006238881804011359 (0.000713843% change) large trace change predicted (0.0117224%) linmin: converged after 3 iterations. iteration 107: trace = 0.0006238150679887561 (0.0117195% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0006238111858541368 (0.000622323% change) large trace change predicted (0.0102983%) linmin: converged after 2 iterations. iteration 109: trace = 0.0006237468869857381 (0.010308% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000623743326660812 (0.000570798% change) large trace change predicted (0.00283281%) linmin: converged after 2 iterations. iteration 111: trace = 0.0006237256523971056 (0.00283362% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0006237252184688532 (6.95704e-05% change) large trace change predicted (0.00313033%) linmin: converged after 2 iterations. iteration 113: trace = 0.0006237056946706671 (0.00313024% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0006237007607944512 (0.000791062% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0006236986742965005 (0.000334536% change) linmin: converged after 2 iterations. iteration 116: trace = 0.000623697778498448 (0.000143627% change) large trace change predicted (0.0013261%) linmin: converged after 2 iterations. iteration 117: trace = 0.0006236895075212086 (0.00132613% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0006236808514364127 (0.00138789% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0006236804477339186 (6.4729e-05% change) large trace change predicted (0.000231625%) linmin: converged after 2 iterations. iteration 120: trace = 0.0006236790031522427 (0.000231622% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0006236775448099834 (0.000233829% change) large trace change predicted (0.000893709%) linmin: converged after 3 iterations. iteration 122: trace = 0.0006236719715208735 (0.000893621% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0006236719287778083 (6.85345e-06% change) large trace change predicted (0.000268391%) linmin: converged after 2 iterations. iteration 124: trace = 0.0006236702549673367 (0.00026838% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0006236701591373879 (1.53655e-05% change) large trace change predicted (0.000167545%) linmin: converged after 2 iterations. iteration 126: trace = 0.0006236691142128373 (0.000167545% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0006236690826243759 (5.06494e-06% change) large trace change predicted (5.07594e-05%) linmin: converged after 2 iterations. iteration 128: trace = 0.0006236687660521753 (5.07597e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0006236687434016006 (3.63183e-06% change) large trace change predicted (3.23205e-05%) linmin: converged after 2 iterations. iteration 130: trace = 0.0006236685418293258 (3.23204e-05% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0006236684592828817 (1.32356e-05% change) large trace change predicted (2.8915e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0006236682789503639 (2.89148e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0006236681122852517 (2.67234e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0006236680961513047 (2.58694e-06% change) large trace change predicted (1.20072e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000623668021265655 (1.20073e-05% change) large trace change predicted (3.59892e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0006236677968098799 (3.59896e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0006236677322588586 (1.03502e-05% change) linmin: converged after 1 iterations. iteration 138: trace = 0.0006236677264374833 (9.3341e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.311508 elapsed time for k point: 0.6709399223327637 total elapsed time for run: 0.6789519786834717 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006455183029174805 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777714664 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684379137825 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325504767729 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107375005632 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169175339375 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490401426092 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993337365355 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068471211492 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042059079865 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268487176006 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915033229693 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447360048019 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462502915275 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808450994881 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690963924738635 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359508692909242 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560607785792776 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220513395261 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098356079333 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725891995251578 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651711028274 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890486465157 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.00308991731852105 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789088865306127 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905417307022 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218255004265 (1.36254% change) large trace change predicted (6.80506%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438970620748649 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189439707574 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181199991457 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998595881864 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919621318485 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173099892836 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646415904548643 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123158550252 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527365709879191 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717514518891 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255605936798469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184429300583 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709348123899 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235085925415 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435601355861 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218102265449 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833228231255 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987653737035624 (6.19867% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353331996882992 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190902454992681 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058432716870005 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679702052056745 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163905684561146 (6.12454% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981007598691239 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920806224588651 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831093799169881 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615281850388767 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452606117657019 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399618151057359 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354447922297769 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218265362412171 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.000697856188177079 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862156205563847 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814084079920771 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741504129083885 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599992909217021 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513436270725466 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488234806081219 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469458212858577 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416678507492177 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315481800942865 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260133894750784 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237060645345516 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229820697130229 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191860209832679 (0.611197% change) large trace change predicted (1.75539%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083342491997321 (1.76808% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039816651696602 (0.718061% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953484410814782 (1.43967% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790995758315432 (2.76706% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661273599037 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632765099685388 (0.0682848% change) large trace change predicted (0.152934%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624156810539749 (0.152942% change) large trace change predicted (0.911932%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573060269262937 (0.912665% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534006161062365 (0.70323% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527443191066584 (0.118664% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552321941087918 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515158430645728 (0.146054% change) large trace change predicted (0.4562%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490274322829425 (0.452215% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486973491247433 (0.0601395% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485468627342601 (0.0274299% change) large trace change predicted (0.104833%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479724982133001 (0.104761% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475044292173427 (0.0854548% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473523724160804 (0.0277766% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472797511589897 (0.0132686% change) large trace change predicted (0.180542%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462878420895008 (0.181408% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461204694109087 (0.0306429% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458502963189519 (0.0494836% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457795958088253 (0.0129532% change) large trace change predicted (0.0900913%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452879826596135 (0.090116% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451433594486787 (0.0265259% change) large trace change predicted (0.0932206%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446351038593462 (0.0932769% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446244809466873 (0.00195048% change) large trace change predicted (0.0828769%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441708676880529 (0.0833239% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441560011681691 (0.002732% change) large trace change predicted (0.0234907%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440279807558005 (0.0235292% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440224863447266 (0.00100996% change) large trace change predicted (0.0204396%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439112184856256 (0.0204549% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439049728355746 (0.00114829% change) large trace change predicted (0.011884%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438403475056866 (0.0118824% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438367330665794 (0.000664616% change) large trace change predicted (0.0154665%) linmin: converged after 3 iterations. iteration 107: trace = 0.000543752697087774 (0.0154536% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437509115474623 (0.000328374% change) large trace change predicted (0.011514%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436883284916223 (0.0115102% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436849331146313 (0.00062451% change) large trace change predicted (0.00985792%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436313037312725 (0.00986454% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628223359947 (0.00056663% change) large trace change predicted (0.00213147%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436166343014158 (0.00213182% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436156475184067 (0.000181522% change) large trace change predicted (0.00286181%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436000893753474 (0.00286202% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435987502667296 (0.000246341% change) large trace change predicted (0.00070217%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435949333241007 (0.000702164% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435930347529871 (0.000349263% change) large trace change predicted (0.00086659%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435883240482468 (0.00086659% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435871532213766 (0.000215389% change) large trace change predicted (0.000869521%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435824266264684 (0.000869523% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435804116347931 (0.000370688% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435791733251679 (0.000227806% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435778115970986 (0.000250512% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435752134192813 (0.000477978% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435740105292129 (0.000221293% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435737678654199 (4.46423e-05% change) large trace change predicted (0.000217273%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435725868624831 (0.000217267% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435725178690948 (1.26926e-05% change) large trace change predicted (0.000125579%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435718352625732 (0.000125578% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435718240520756 (2.06238e-06% change) large trace change predicted (1.96195e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435717174059936 (1.96195e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435717029106233 (2.66669e-06% change) large trace change predicted (4.27178e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435714707094402 (4.27177e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435714592337895 (2.11116e-06% change) large trace change predicted (2.06103e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435713472024306 (2.06102e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435713377516348 (1.73865e-06% change) large trace change predicted (2.10132e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435712235298091 (2.10132e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435712197209179 (7.00716e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 1.0968871116638184 total elapsed time for run: 1.1034214496612549 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.014537572860717773 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396282863191971 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327661774820583 (5.03836% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313475705921865 (1.07424% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01142848206012068 (13.8929% change) linmin: converged after 8 iterations. iteration 5: trace = 0.0105745914603802 (7.76156% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012549991920008 (4.33903% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009886881715102248 (2.38471% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008866172559986736 (10.8858% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008540877170779537 (3.73751% change) linmin: converged after 4 iterations. iteration 10: trace = 0.008362498806995414 (2.11056% change) large trace change predicted (6.02681%) linmin: converged after 8 iterations. iteration 11: trace = 0.007124056947380951 (15.9938% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006890108051135823 (3.33875% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006697796647905136 (2.83063% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005932474498657827 (12.1189% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005760215701243487 (2.94644% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005429156740668333 (5.91738% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004623726930956197 (16.0239% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004483952645945583 (3.06937% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004429612849642655 (1.21926% change) large trace change predicted (8.67783%) linmin: converged after 6 iterations. iteration 20: trace = 0.003789077339118057 (15.5873% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003338025666279788 (12.6574% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00327898744641217 (1.78444% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003149820606564701 (4.01838% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002848331511886086 (10.0527% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002770456695464114 (2.77194% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002733517993169456 (1.34226% change) large trace change predicted (6.7119%) linmin: converged after 5 iterations. iteration 27: trace = 0.00249541866449024 (9.10699% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002090277746198257 (17.6698% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001989520888825912 (4.93931% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001963871598318604 (1.29758% change) large trace change predicted (3.47594%) linmin: converged after 4 iterations. iteration 31: trace = 0.001888954636065791 (3.88894% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001749742206438526 (7.65177% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001703401511992632 (2.68397% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001678658569913396 (1.46319% change) large trace change predicted (5.18144%) linmin: converged after 4 iterations. iteration 35: trace = 0.001580381819025861 (6.03102% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001385927759964756 (13.1108% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00131210670344504 (5.47221% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001288217074245376 (1.83743% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00124481280291372 (3.42706% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001167068511292494 (6.44678% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001133684462048501 (2.90201% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001122485570886648 (0.992735% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001101592563319621 (1.8788% change) large trace change predicted (5.3706%) linmin: converged after 4 iterations. iteration 44: trace = 0.001037151673680227 (6.02605% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009842870945510444 (5.23039% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009678995947540669 (1.67889% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009546160438150928 (1.38189% change) large trace change predicted (3.80118%) linmin: converged after 3 iterations. iteration 48: trace = 0.0009167470664856399 (4.04721% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008643207672027525 (5.88706% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008453159364097478 (2.22326% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008390202919907254 (0.747552% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008298051200213573 (1.10439% change) large trace change predicted (2.55833%) linmin: converged after 3 iterations. iteration 53: trace = 0.0008080190557803306 (2.66037% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007916285670295825 (2.04926% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007862346773215591 (0.683695% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007816219256395592 (0.588415% change) large trace change predicted (1.73592%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007678304831492513 (1.78017% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007435387853682708 (3.21453% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007315946497627243 (1.6194% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007266202507370197 (0.682259% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0007191451122385416 (1.03407% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0007044525977511783 (2.06414% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000695282534000708 (1.31026% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006926243539884183 (0.383049% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006907570462260792 (0.269963% change) large trace change predicted (0.737695%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006856288673866012 (0.745166% change) large trace change predicted (1.50311%) linmin: converged after 4 iterations. iteration 67: trace = 0.0006751905099789865 (1.53413% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006690887107595544 (0.907817% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006666308441647106 (0.368021% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.000665894766388085 (0.110479% change) large trace change predicted (0.583051%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006620147964762438 (0.584373% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006593874374263351 (0.397662% change) large trace change predicted (1.97433%) linmin: converged after 3 iterations. iteration 73: trace = 0.0006463944470280221 (1.99007% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006439167969048978 (0.384039% change) large trace change predicted (3.60299%) linmin: converged after 3 iterations. iteration 75: trace = 0.0006208046970256257 (3.65489% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0006051224312618966 (2.55843% change) linmin: converged after 2 iterations. iteration 77: trace = 0.000604072952216302 (0.173583% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0006035815759969485 (0.081377% change) large trace change predicted (0.878809%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005982971756225091 (0.879357% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005936478812236818 (0.780119% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005932851237798021 (0.0611252% change) large trace change predicted (0.129434%) linmin: converged after 3 iterations. iteration 82: trace = 0.0005925186070023991 (0.129282% change) linmin: converged after 3 iterations. iteration 83: trace = 0.000591960055657803 (0.0943118% change) large trace change predicted (0.482135%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005891395700538928 (0.477603% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005890401124208346 (0.0168833% change) large trace change predicted (0.0998023%) linmin: converged after 3 iterations. iteration 86: trace = 0.0005884530666239399 (0.0997111% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005882459274655779 (0.0352068% change) large trace change predicted (0.114927%) linmin: converged after 4 iterations. iteration 88: trace = 0.0005875693650862351 (0.11508% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000587543305272246 (0.00443529% change) large trace change predicted (0.146911%) linmin: converged after 4 iterations. iteration 90: trace = 0.0005866773124815705 (0.147501% change) linmin: converged after 4 iterations. iteration 91: trace = 0.0005863762211877528 (0.0513346% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005859485425552975 (0.0729625% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005859110908195348 (0.00639185% change) large trace change predicted (0.101499%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005853164619594724 (0.101539% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005852989941774284 (0.00298438% change) large trace change predicted (0.116394%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005846175651491142 (0.116492% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005845742989223282 (0.00740105% change) large trace change predicted (0.0708106%) linmin: converged after 3 iterations. iteration 98: trace = 0.0005841585976179939 (0.0711371% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005841389166807432 (0.00336917% change) large trace change predicted (0.0329036%) linmin: converged after 2 iterations. iteration 100: trace = 0.0005839462671581598 (0.0329855% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005839312924220021 (0.00256444% change) large trace change predicted (0.020159%) linmin: converged after 2 iterations. iteration 102: trace = 0.0005838134979407432 (0.0201747% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005837926977464084 (0.00356288% change) large trace change predicted (0.0112663%) linmin: converged after 3 iterations. iteration 104: trace = 0.0005837269323053717 (0.0112658% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005837235328225447 (0.000582377% change) large trace change predicted (0.0172364%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005836230367732186 (0.0172179% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005836125833709429 (0.00179114% change) large trace change predicted (0.0105648%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005835509463284357 (0.0105619% change) linmin: converged after 2 iterations. iteration 109: trace = 0.000583548943557202 (0.000343205% change) large trace change predicted (0.0100451%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005834902830011359 (0.0100529% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005834861943973579 (0.000700717% change) large trace change predicted (0.00228227%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005834728751719851 (0.00228272% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005834693550790069 (0.000603302% change) large trace change predicted (0.00250098%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005834547623777851 (0.00250105% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005834540404858312 (0.000123727% change) large trace change predicted (0.000981181%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005834483159081683 (0.000981158% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005834430901088896 (0.000895679% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005834414461653333 (0.000281766% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005834400433657492 (0.000240436% change) large trace change predicted (0.00122504%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005834328958089031 (0.00122508% change) linmin: converged after 2 iterations. iteration 121: trace = 0.0005834306998253623 (0.000376391% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005834302300646657 (8.0517e-05% change) large trace change predicted (0.000409962%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005834278383109859 (0.000409948% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005834254794106206 (0.000404318% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005834241979465602 (0.000219645% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005834239135666899 (4.87433e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.000583423502971132 (7.03769e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.000583422949230357 (9.49124e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005834227993077978 (2.56971e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005834227684917472 (5.28194e-06% change) large trace change predicted (3.57128e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005834225601355955 (3.57127e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005834225295461993 (5.24309e-06% change) large trace change predicted (2.86351e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000583422362483298 (2.8635e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005834223464450269 (2.749e-06% change) large trace change predicted (2.51074e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.0005834221999629405 (2.51074e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.00058342219538993 (7.83825e-07% change) Finished solving for bands 1 to 1 after 136 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.31282 elapsed time for k point: 0.8540823459625244 total elapsed time for run: 0.8687105178833008 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006375789642333984 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790268 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.0132768437898853 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801723 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373087121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201356 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408594478 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404148784 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608208342 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00851704222118967 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739342033 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363859004 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679768137 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857760522 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909872059 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.00569096440599527 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169257514 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.00456060821010163 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918456057 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767679029 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430729385 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527304132 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899247688 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728392793 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266694633 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816060592 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653116322 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101418499 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.00203418982666898 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583112908 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976138277 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919992986375 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476476021 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286574502 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538390835 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074183369 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884040442 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316142469 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805750662 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709301622 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433342012 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949626725 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450353899 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573672995 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.000987654075150004 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335328902478 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905772391868 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.000905843603216562 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371086195 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908944570634 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010810609025 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420089687 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983086388 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021284734 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609270861203 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621294935281 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060384531 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493096498 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564988841939 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288337826 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087151743126 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190228429 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995939804922 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.000651343926804659 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794191125 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.000646946120148165 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.000641668150522155 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006315484776209362 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136834488207 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063575942236 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823626969904 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.000619186313363401 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731002494 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819543710381 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481802038172 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597029591 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393466568 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767884740382 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234450237 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060494775 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878652251 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445946537723 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222163975608 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161191541144 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276985997455 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623118544 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471396887906 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715173951 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960304025 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005473526468641912 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290351699 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158369006 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310184977 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505697904451 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798750558736 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561276532 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125152974 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353772540491 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544126957 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389173067 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712543187 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539104994 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.000544022759221365 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114907770442 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.000543905244210137 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406201691171 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058016967 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529695585573 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838185131 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886018592078 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.000543685205660315 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315751933429 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284957862589 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.000543616907074114 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200036227 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003612569438 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227288949 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063251706 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933071971916 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960222554 (0.000866676% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874256683229 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826997818801 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806840891876 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794453874277 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840457302 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863202293 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.000543574282977934 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740401792663 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593115397 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000543572790346718 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077078849 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720964946914 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898524405 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719753635313 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717431546869 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717316753547 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196484011 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102019965 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714959753406 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.000543571492165385 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.7236950397491455 total elapsed time for run: 0.7301487922668457 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006890058517456055 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396277298196032 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327673301526956 (5.0371% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313400658270516 (1.08082% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.0114297290608976 (13.8764% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057309468687718 (7.78659% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01012016037562427 (4.3776% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009881894700145501 (2.38241% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008856077207278063 (10.9491% change) linmin: converged after 6 iterations. iteration 9: trace = 0.00852889711208356 (3.76394% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008344493547057696 (2.18573% change) large trace change predicted (6.06381%) linmin: converged after 8 iterations. iteration 11: trace = 0.007099225571323723 (16.1265% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006865992373895782 (3.3402% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00667070716334527 (2.88527% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00589915660385347 (12.2762% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005725769822099184 (2.98302% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005394233041223711 (5.96289% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004591812089424818 (16.0708% change) linmin: converged after 4 iterations. iteration 18: trace = 0.00445313251050142 (3.06646% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004398441239820115 (1.23574% change) large trace change predicted (8.74475%) linmin: converged after 6 iterations. iteration 20: trace = 0.003757498063073872 (15.7172% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003307049624969673 (12.7524% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003248169195357291 (1.79644% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003119780808147482 (4.03233% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002818482765278311 (10.1477% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002740289464254404 (2.81333% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002703514636485685 (1.35107% change) large trace change predicted (6.74778%) linmin: converged after 5 iterations. iteration 27: trace = 0.002467359186283222 (9.13406% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002062259933127763 (17.8867% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001961187580402064 (5.02417% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001935785449808109 (1.30369% change) large trace change predicted (3.47972%) linmin: converged after 4 iterations. iteration 31: trace = 0.001861930146333954 (3.88946% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001721746455471433 (7.82346% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001674547855855682 (2.77942% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001650063402976132 (1.47292% change) large trace change predicted (5.17495%) linmin: converged after 4 iterations. iteration 35: trace = 0.001553854523947406 (6.0057% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001358699736264833 (13.4009% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001283533375633954 (5.68961% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001259889741029367 (1.8592% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001218118516427464 (3.37135% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001141570259086561 (6.488% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001107914320244999 (2.99232% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001096696612124706 (1.01766% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00107608511348011 (1.89725% change) large trace change predicted (5.44733%) linmin: converged after 4 iterations. iteration 44: trace = 0.001012315861074889 (6.10699% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009596843822365965 (5.33788% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009433542370176429 (1.71622% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009300901235621667 (1.41601% change) large trace change predicted (3.90141%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008922288348191729 (4.15529% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008402236786292222 (6.00365% change) linmin: converged after 3 iterations. iteration 50: trace = 0.0008215818528877113 (2.24356% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008154335389723907 (0.751161% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0008063590029107708 (1.11907% change) large trace change predicted (2.62064%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007846792856303563 (2.72523% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007683178497697246 (2.10708% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007629615245124783 (0.699588% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007583989713909217 (0.599799% change) large trace change predicted (1.77635%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007447092847884817 (1.82152% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007205764148180748 (3.29395% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0007087748391403244 (1.65132% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0007038858193914895 (0.692172% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006965316867071886 (1.05028% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006821310634054504 (2.08907% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006732272502924638 (1.31387% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006706397275840157 (0.385086% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006687664955433125 (0.279711% change) large trace change predicted (0.773811%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006635582625729859 (0.781826% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006532764523642646 (1.56159% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000647471635683386 (0.892535% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006450938580202934 (0.367916% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006443641358049454 (0.113183% change) large trace change predicted (0.596167%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006405250771876931 (0.59757% change) linmin: converged after 3 iterations. iteration 72: trace = 0.0006341861459408103 (0.994567% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006251090623055943 (1.44161% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006222593712673886 (0.456912% change) large trace change predicted (3.61349%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005998530474227994 (3.66682% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000584377672190079 (2.61357% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005836056887257933 (0.132191% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005831765145368019 (0.0735654% change) large trace change predicted (0.940528%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005777134988166324 (0.941177% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005735210833030355 (0.728334% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005729501811564757 (0.0995929% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005724824656888314 (0.0816662% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005716748811387682 (0.141167% change) large trace change predicted (0.473833%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005689973367340476 (0.469468% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005688164359378534 (0.031798% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005685241086939911 (0.0514054% change) linmin: converged after 3 iterations. iteration 87: trace = 0.0005680601706819044 (0.0816372% change) linmin: converged after 4 iterations. iteration 88: trace = 0.0005674452625840404 (0.108306% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005673892515685999 (0.00987122% change) large trace change predicted (0.0466111%) linmin: converged after 2 iterations. iteration 90: trace = 0.0005671245107237177 (0.0466704% change) large trace change predicted (0.149567%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005662735341357651 (0.150164% change) linmin: converged after 4 iterations. iteration 92: trace = 0.0005659201341625185 (0.0624275% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005658242203234273 (0.0169497% change) large trace change predicted (0.0719274%) linmin: converged after 3 iterations. iteration 94: trace = 0.0005654172724822857 (0.0719471% change) linmin: converged after 2 iterations. iteration 95: trace = 0.0005652372676748607 (0.0318408% change) large trace change predicted (0.0910646%) linmin: converged after 2 iterations. iteration 96: trace = 0.0005647224630710792 (0.0911191% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005645479868322843 (0.0309007% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005643908579115849 (0.0278366% change) linmin: converged after 2 iterations. iteration 99: trace = 0.0005641061419384266 (0.0504593% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005639955170980961 (0.0196126% change) linmin: converged after 2 iterations. iteration 101: trace = 0.0005639228619948328 (0.012883% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005638118885822105 (0.0196808% change) linmin: converged after 2 iterations. iteration 103: trace = 0.0005638049972376018 (0.00122228% change) large trace change predicted (0.0112905%) linmin: converged after 3 iterations. iteration 104: trace = 0.000563741348089987 (0.0112899% change) linmin: converged after 2 iterations. iteration 105: trace = 0.0005637272110879474 (0.00250774% change) large trace change predicted (0.0167509%) linmin: converged after 3 iterations. iteration 106: trace = 0.0005636328809173244 (0.0167347% change) linmin: converged after 2 iterations. iteration 107: trace = 0.0005636302139016803 (0.000473184% change) large trace change predicted (0.011255%) linmin: converged after 3 iterations. iteration 108: trace = 0.0005635668014332474 (0.0112514% change) linmin: converged after 2 iterations. iteration 109: trace = 0.0005635622082828253 (0.000815018% change) large trace change predicted (0.0100084%) linmin: converged after 2 iterations. iteration 110: trace = 0.0005635057669609721 (0.0100156% change) linmin: converged after 2 iterations. iteration 111: trace = 0.0005635037764394931 (0.00035324% change) large trace change predicted (0.0026277%) linmin: converged after 2 iterations. iteration 112: trace = 0.0005634889662202282 (0.00262827% change) linmin: converged after 2 iterations. iteration 113: trace = 0.0005634882607324401 (0.0001252% change) large trace change predicted (0.00291264%) linmin: converged after 2 iterations. iteration 114: trace = 0.0005634718475843435 (0.00291282% change) linmin: converged after 2 iterations. iteration 115: trace = 0.0005634714736823187 (6.63568e-05% change) large trace change predicted (0.000998649%) linmin: converged after 2 iterations. iteration 116: trace = 0.0005634658467070818 (0.000998631% change) linmin: converged after 2 iterations. iteration 117: trace = 0.0005634622717771309 (0.000634456% change) linmin: converged after 2 iterations. iteration 118: trace = 0.000563459231407282 (0.000539589% change) linmin: converged after 2 iterations. iteration 119: trace = 0.0005634586824728996 (9.74222e-05% change) large trace change predicted (0.00131778%) linmin: converged after 2 iterations. iteration 120: trace = 0.0005634512572225869 (0.00131781% change) linmin: converged after 2 iterations. iteration 121: trace = 0.000563449541599581 (0.000304485% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005634488966648199 (0.000114462% change) large trace change predicted (0.000368054%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005634468229267067 (0.000368044% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005634443003502092 (0.000447705% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005634433325083529 (0.000171773% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005634428207723486 (9.0823e-05% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005634422976097212 (9.28511e-05% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005634420043699701 (5.20443e-05% change) linmin: converged after 2 iterations. iteration 129: trace = 0.000563441846756934 (2.79733e-05% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005634418013849262 (8.05265e-06% change) large trace change predicted (3.45757e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005634416065711358 (3.45757e-05% change) linmin: converged after 1 iterations. iteration 132: trace = 0.0005634415918236781 (2.61739e-06% change) large trace change predicted (2.99597e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.000563441423019242 (2.99595e-05% change) linmin: converged after 2 iterations. iteration 134: trace = 0.0005634414058051567 (3.05517e-06% change) large trace change predicted (2.45802e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000563441267310489 (2.45801e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005634412596039246 (1.36777e-06% change) large trace change predicted (3.39941e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.000563441068065134 (3.39945e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.000563441055533467 (2.22413e-06% change) large trace change predicted (8.09133e-06%) linmin: converged after 2 iterations. iteration 139: trace = 0.0005634410099435899 (8.09133e-06% change) resetting CG direction... linmin: converged after 2 iterations. iteration 140: trace = 0.0005634410032175157 (1.19375e-06% change) large trace change predicted (4.46351e-06%) linmin: converged after 2 iterations. iteration 141: trace = 0.0005634409780683264 (4.4635e-06% change) linmin: converged after 2 iterations. iteration 142: trace = 0.0005634409654746057 (2.23514e-06% change) large trace change predicted (1.00797e-05%) linmin: converged after 2 iterations. iteration 143: trace = 0.000563440908681759 (1.00796e-05% change) linmin: converged after 2 iterations. iteration 144: trace = 0.0005634408822215145 (4.69619e-06% change) linmin: converged after 2 iterations. iteration 145: trace = 0.0005634408794977984 (4.83408e-07% change) Finished solving for bands 1 to 1 after 145 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313486 elapsed time for k point: 0.7417373657226562 total elapsed time for run: 0.748711109161377 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064089298248291016 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.01396271777790279 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988494 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801603 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373144121 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177222653 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011490408588507 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993403842299 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068607488024 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042220860731 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268738647074 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915362624252 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447678833311 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.00664446285672118 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005865808909923032 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406404344 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169344881 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608209595262 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220917694077 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767029675 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892431128894 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003276517527324271 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899157785 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728547439 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266618841 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905815738305 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218652875282 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.00243897101490796 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189827192646 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583249696 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976246106 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993232512 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.00169417347662858 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.00164641628661143 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538465078 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074588424 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884497108 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316413764 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805990462 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001191709709568645 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433540852 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949737259 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450456544 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573828031 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540753778747 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335330162741 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009190905773283304 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436033259624 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705373050075 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908946178317 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.000798101081167986 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809421090972 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096984263138 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285022581599 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.00074526092717319 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.000739962129565436 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.000735445106115202 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268494206957 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564990025276 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159289314136 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152697722 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507191304969 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940863893 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268837216 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794904634 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202214508 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681506092607 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477707126 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006260136835193845 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576621431 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627653167 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134314227 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344730353767 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544200522 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481792472999 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597313385 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005636615393738378 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885227017 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234313865 (0.152949% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060820175 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.000553400878679191 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947027221 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.000552322216445876 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192022421 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986335131 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005486976231642433 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005485471397401571 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715635808 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960657026 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646911789 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.0005472800290891111 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158850852 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310462049 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005458505698385592 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751141933 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.000545288256175192 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125284867 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773024541 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544612204 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389625204 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562712975067 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539585556 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689452 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005439114908238702 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442553742 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202165286 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492352 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696057163 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005437511838653327 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019079089 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057075703 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005436315752388618 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.000543628495833425 (0.000566452% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071218295 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200508298 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613031127 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227760568 (0.000246234% change) large trace change predicted (0.00070207%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063733042 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.00054359330724436 (0.000349365% change) large trace change predicted (0.000866677%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005435885960685875 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257154743 (0.000215301% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998302949 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841363679 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454339354 (0.000227879% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840929216 (0.00025044% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863682015 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830251136 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402262138 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593587193 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903939494 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077550639 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965418655 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898996206 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754107222 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432018639 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317225239 (2.11184e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196955787 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102491798 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960225195 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922125603 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.7835383415222168 total elapsed time for run: 0.790032148361206 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.0064694881439208984 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627453234668 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327678895732443 (5.03648% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313363091101697 (1.0841% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143038892737028 (13.8678% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057238111550542 (7.79909% change) linmin: converged after 6 iterations. iteration 6: trace = 0.01011752134406265 (4.39693% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009879432781964499 (2.38125% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008851061111638534 (10.9807% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008522952955235046 (3.777% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008335408564975862 (2.22494% change) large trace change predicted (6.08184%) linmin: converged after 8 iterations. iteration 11: trace = 0.007087003152221757 (16.1895% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006854146058619612 (3.34057% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006657474932032057 (2.91114% change) linmin: converged after 8 iterations. iteration 14: trace = 0.005882487151484895 (12.3603% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005708413868474088 (3.00362% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005376848409001793 (5.98209% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004576121726576717 (16.0902% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004438061818876427 (3.06317% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004383166022229881 (1.24463% change) large trace change predicted (8.78014%) linmin: converged after 6 iterations. iteration 20: trace = 0.003741707625373545 (15.79% change) linmin: converged after 6 iterations. iteration 21: trace = 0.003291730464789618 (12.7954% change) linmin: converged after 3 iterations. iteration 22: trace = 0.00323296361365317 (1.80137% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003104832650725999 (4.04339% change) linmin: converged after 6 iterations. iteration 24: trace = 0.0028037328238545 (10.192% change) linmin: converged after 4 iterations. iteration 25: trace = 0.00272549979575612 (2.8298% change) linmin: converged after 3 iterations. iteration 26: trace = 0.00268877892825142 (1.35645% change) large trace change predicted (6.77346%) linmin: converged after 5 iterations. iteration 27: trace = 0.002453217042843278 (9.16227% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002048239457654706 (17.9932% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001947146666235006 (5.06048% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001921857262687753 (1.30728% change) large trace change predicted (3.48607%) linmin: converged after 4 iterations. iteration 31: trace = 0.001848427637430311 (3.89518% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001707910804241009 (7.90233% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001660392701845439 (2.82149% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001636012398390305 (1.47921% change) large trace change predicted (5.18152%) linmin: converged after 4 iterations. iteration 35: trace = 0.001540609388307187 (6.00657% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001345179666361946 (13.5443% change) linmin: converged after 4 iterations. iteration 37: trace = 0.00126948431086243 (5.79006% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001245954740020698 (1.87081% change) linmin: converged after 3 iterations. iteration 39: trace = 0.001204877460885485 (3.35211% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001128884041191235 (6.51253% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001095136827332115 (3.03479% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001083916132125791 (1.02987% change) linmin: converged after 3 iterations. iteration 43: trace = 0.00106342611885985 (1.90841% change) large trace change predicted (5.48869%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009999651603088994 (6.15113% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009474780947119102 (5.39036% change) linmin: converged after 3 iterations. iteration 46: trace = 0.0009311870209203887 (1.73432% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009179318603988158 (1.43367% change) large trace change predicted (3.95373%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008800680621571141 (4.21177% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008282748494238419 (6.06356% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0008098098649172428 (2.25446% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0008037279075855603 (0.753866% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007947097632042897 (1.12837% change) large trace change predicted (2.65329%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007730802281605836 (2.75924% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007567571125206468 (2.13397% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007514269868356672 (0.706827% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007468879959237339 (0.605879% change) large trace change predicted (1.79868%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007332382937661766 (1.8444% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0007091847742736814 (3.33515% change) linmin: converged after 4 iterations. iteration 59: trace = 0.000697460119984083 (1.66704% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006926125255783699 (0.697459% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006853107693224471 (1.05982% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006710414599140188 (2.10407% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006622634864220272 (1.31672% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006597098242442245 (0.386341% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006578341892558789 (0.284717% change) large trace change predicted (0.792077%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006525900725209967 (0.800369% change) linmin: converged after 4 iterations. iteration 67: trace = 0.0006423889616197569 (1.57549% change) linmin: converged after 4 iterations. iteration 68: trace = 0.0006367222354210428 (0.886041% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006343807372669772 (0.36842% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006336539383400986 (0.114634% change) large trace change predicted (0.602878%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006298361502094541 (0.604324% change) large trace change predicted (1.59666%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006197950781763823 (1.60705% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006145237767948023 (0.854123% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0006094352906658932 (0.83148% change) large trace change predicted (3.28752%) linmin: converged after 3 iterations. iteration 75: trace = 0.0005894510814058584 (3.3338% change) linmin: converged after 4 iterations. iteration 76: trace = 0.0005738959982001474 (2.67419% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005734237191063654 (0.0823274% change) linmin: converged after 3 iterations. iteration 78: trace = 0.0005728368908955536 (0.10239% change) large trace change predicted (0.937866%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005674860400448248 (0.93848% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005634781462098142 (0.708757% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005628279215109654 (0.115461% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005624017587877296 (0.0757468% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005615784927448529 (0.146491% change) large trace change predicted (0.462977%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005590077500636137 (0.458821% change) linmin: converged after 3 iterations. iteration 85: trace = 0.0005587368022581278 (0.0484812% change) linmin: converged after 3 iterations. iteration 86: trace = 0.0005585444875679437 (0.0344255% change) large trace change predicted (0.09806%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005579974550806457 (0.0979869% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005574604311140524 (0.0962876% change) linmin: converged after 2 iterations. iteration 89: trace = 0.0005573550114431289 (0.0189125% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000557236712140031 (0.0212274% change) large trace change predicted (0.173746%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005562649121681097 (0.174548% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005560155450830856 (0.0448389% change) linmin: converged after 2 iterations. iteration 93: trace = 0.0005558214414828518 (0.0349158% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005556746092777762 (0.0264206% change) large trace change predicted (0.0768704%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005552475305163842 (0.0768873% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005549565391509682 (0.0524212% change) linmin: converged after 2 iterations. iteration 97: trace = 0.0005545759625776974 (0.0686012% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005545580258742105 (0.00323436% change) large trace change predicted (0.0788885%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005541184642602463 (0.0792948% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005540827416426181 (0.00644696% change) large trace change predicted (0.0221441%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005539598645880117 (0.0221791% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005539509641402986 (0.00160671% change) large trace change predicted (0.0194904%) linmin: converged after 2 iterations. iteration 103: trace = 0.0005538429307990059 (0.0195042% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005538212510814802 (0.00391449% change) large trace change predicted (0.00948118%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005537687493451267 (0.00948036% change) linmin: converged after 3 iterations. iteration 106: trace = 0.0005537545264295007 (0.00256842% change) large trace change predicted (0.0139068%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005536775826948541 (0.0138959% change) linmin: converged after 2 iterations. iteration 108: trace = 0.0005536699714180234 (0.00137469% change) large trace change predicted (0.0109183%) linmin: converged after 3 iterations. iteration 109: trace = 0.000553609541971647 (0.0109149% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005536073766928733 (0.000391121% change) large trace change predicted (0.00997282%) linmin: converged after 2 iterations. iteration 111: trace = 0.0005535521304986146 (0.00997981% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005535500119164885 (0.000382726% change) large trace change predicted (0.00221526%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005535377473214456 (0.00221565% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005535371237615334 (0.00011265% change) large trace change predicted (0.00299101%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005535205665764597 (0.00299121% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005535202706804172 (5.34571e-05% change) large trace change predicted (0.00100099%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005535147301454523 (0.00100097% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005535144229078852 (5.55067e-05% change) large trace change predicted (0.00104748%) linmin: converged after 2 iterations. iteration 119: trace = 0.0005535086249694815 (0.00104748% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005535083269111417 (5.38489e-05% change) large trace change predicted (0.00126845%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005535013059523242 (0.00126845% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005535011997657242 (1.91845e-05% change) large trace change predicted (0.000431366%) linmin: converged after 2 iterations. iteration 123: trace = 0.0005534988122002452 (0.000431358% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005534985693850205 (4.38692e-05% change) large trace change predicted (0.000714089%) linmin: converged after 2 iterations. iteration 125: trace = 0.0005534946171051055 (0.000714057% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005534945841831638 (5.94801e-06% change) large trace change predicted (0.000246508%) linmin: converged after 2 iterations. iteration 127: trace = 0.0005534932198247655 (0.000246499% change) linmin: converged after 2 iterations. iteration 128: trace = 0.0005534931321703183 (1.58366e-05% change) large trace change predicted (0.000135235%) linmin: converged after 2 iterations. iteration 129: trace = 0.0005534923836579644 (0.000135234% change) linmin: converged after 2 iterations. iteration 130: trace = 0.0005534923401820672 (7.85483e-06% change) large trace change predicted (2.09979e-05%) linmin: converged after 2 iterations. iteration 131: trace = 0.0005534922239600052 (2.0998e-05% change) linmin: converged after 2 iterations. iteration 132: trace = 0.0005534922081138453 (2.86294e-06% change) large trace change predicted (4.04808e-05%) linmin: converged after 2 iterations. iteration 133: trace = 0.0005534919840565648 (4.04807e-05% change) linmin: converged after 1 iterations. iteration 134: trace = 0.0005534919663682655 (3.19576e-06% change) large trace change predicted (2.36162e-05%) linmin: converged after 2 iterations. iteration 135: trace = 0.000553491835655066 (2.36161e-05% change) linmin: converged after 2 iterations. iteration 136: trace = 0.0005534918255761874 (1.82096e-06% change) large trace change predicted (2.26881e-05%) linmin: converged after 2 iterations. iteration 137: trace = 0.0005534916999995936 (2.26881e-05% change) linmin: converged after 2 iterations. iteration 138: trace = 0.0005534916950358864 (8.96799e-07% change) Finished solving for bands 1 to 1 after 138 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.313822 elapsed time for k point: 0.9094583988189697 total elapsed time for run: 0.9160170555114746 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006530284881591797 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 elapsed time for k point: 0.6523158550262451 total elapsed time for run: 0.6589362621307373 done Initializing eigensolver data Computing 1 bands with 1e-08 tolerance Target frequency is 0.3493 Working in 2 dimensions. Grid size is 80 x 80 x 1. Solving for 1 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (5, 0, 0) (0, 5, 0) (0, 0, 1) Cell volume = 25 Reciprocal lattice vectors (/ 2 pi): (0.2, -0, 0) (-0, 0.2, -0) (0, -0, 1) Geometric objects: cylinder, center = (2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-1,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-1,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (-2,-2,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 5 and 34 object nodes (vs. 27 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.0> elapsed time for initialization: 0.006419658660888672 solve_kpoint (0.5,0.5,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1 Solving for bands 1 to 1... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 0.0139627177779028 (199.998% change) linmin: converged after 7 iterations. iteration 2: trace = 0.01327684378988492 (5.03587% change) linmin: converged after 5 iterations. iteration 3: trace = 0.01313325505801901 (1.08738% change) near maximum in trace linmin: converged after 6 iterations. iteration 4: trace = 0.01143107373086895 (13.859% change) linmin: converged after 8 iterations. iteration 5: trace = 0.01057169177201632 (7.81158% change) linmin: converged after 6 iterations. iteration 6: trace = 0.010114904085955 (4.41627% change) linmin: converged after 6 iterations. iteration 7: trace = 0.009876993404152084 (2.38007% change) linmin: converged after 8 iterations. iteration 8: trace = 0.008846068608214096 (11.0124% change) linmin: converged after 6 iterations. iteration 9: trace = 0.008517042221208209 (3.78995% change) linmin: converged after 5 iterations. iteration 10: trace = 0.008326268739370752 (2.26527% change) large trace change predicted (6.09955%) linmin: converged after 8 iterations. iteration 11: trace = 0.007074915363883305 (16.2501% change) linmin: converged after 5 iterations. iteration 12: trace = 0.006842447679798472 (3.34069% change) linmin: converged after 5 iterations. iteration 13: trace = 0.006644462857791814 (2.93596% change) linmin: converged after 8 iterations. iteration 14: trace = 0.00586580890994385 (12.4482% change) linmin: converged after 5 iterations. iteration 15: trace = 0.005690964406082881 (3.02584% change) linmin: converged after 5 iterations. iteration 16: trace = 0.005359509169326547 (5.99893% change) linmin: converged after 6 iterations. iteration 17: trace = 0.004560608210157557 (16.1067% change) linmin: converged after 4 iterations. iteration 18: trace = 0.004423220918506502 (3.05855% change) linmin: converged after 3 iterations. iteration 19: trace = 0.004368098767732578 (1.25401% change) large trace change predicted (8.81704%) linmin: converged after 6 iterations. iteration 20: trace = 0.003725892430815513 (15.8687% change) linmin: converged after 6 iterations. iteration 21: trace = 0.00327651752737873 (12.8349% change) linmin: converged after 3 iterations. iteration 22: trace = 0.003217890899318571 (1.80545% change) linmin: converged after 5 iterations. iteration 23: trace = 0.003089917728471123 (4.05761% change) linmin: converged after 6 iterations. iteration 24: trace = 0.002789089266760042 (10.234% change) linmin: converged after 4 iterations. iteration 25: trace = 0.002710905816117439 (2.84304% change) linmin: converged after 3 iterations. iteration 26: trace = 0.002674218653175258 (1.36254% change) large trace change predicted (6.80505%) linmin: converged after 5 iterations. iteration 27: trace = 0.002438971014266685 (9.2016% change) linmin: converged after 6 iterations. iteration 28: trace = 0.002034189826749606 (18.0982% change) linmin: converged after 4 iterations. iteration 29: trace = 0.001933181583188529 (5.09195% change) linmin: converged after 3 iterations. iteration 30: trace = 0.001907998976213356 (1.31119% change) large trace change predicted (3.49571%) linmin: converged after 4 iterations. iteration 31: trace = 0.001834919993059031 (3.90492% change) linmin: converged after 5 iterations. iteration 32: trace = 0.001694173476536888 (7.97636% change) linmin: converged after 3 iterations. iteration 33: trace = 0.001646416286631224 (2.85921% change) linmin: converged after 3 iterations. iteration 34: trace = 0.001622123538449003 (1.48646% change) large trace change predicted (5.19533%) linmin: converged after 4 iterations. iteration 35: trace = 0.001527366074250917 (6.01732% change) linmin: converged after 5 iterations. iteration 36: trace = 0.001331717884102342 (13.6861% change) linmin: converged after 4 iterations. iteration 37: trace = 0.001255606316196592 (5.88342% change) linmin: converged after 3 iterations. iteration 38: trace = 0.001232184805805558 (1.88292% change) linmin: converged after 3 iterations. iteration 39: trace = 0.00119170970936277 (3.33967% change) linmin: converged after 4 iterations. iteration 40: trace = 0.001116235433404988 (6.54039% change) linmin: converged after 3 iterations. iteration 41: trace = 0.001082435949686181 (3.07454% change) linmin: converged after 4 iterations. iteration 42: trace = 0.001071218450412442 (1.04172% change) linmin: converged after 3 iterations. iteration 43: trace = 0.001050833573731395 (1.92124% change) large trace change predicted (5.53279%) linmin: converged after 4 iterations. iteration 44: trace = 0.0009876540752091424 (6.19866% change) linmin: converged after 4 iterations. iteration 45: trace = 0.0009353335329505629 (5.44159% change) linmin: converged after 3 iterations. iteration 46: trace = 0.000919090577299524 (1.75181% change) linmin: converged after 4 iterations. iteration 47: trace = 0.0009058436032755809 (1.45178% change) large trace change predicted (4.00783%) linmin: converged after 3 iterations. iteration 48: trace = 0.0008679705371634375 (4.27024% change) linmin: converged after 3 iterations. iteration 49: trace = 0.0008163908945122433 (6.12453% change) linmin: converged after 4 iterations. iteration 50: trace = 0.0007981010811180984 (2.26571% change) linmin: converged after 4 iterations. iteration 51: trace = 0.0007920809420666169 (0.757164% change) linmin: converged after 4 iterations. iteration 52: trace = 0.0007831096983658118 (1.13907% change) large trace change predicted (2.68696%) linmin: converged after 3 iterations. iteration 53: trace = 0.0007615285021835698 (2.79434% change) linmin: converged after 4 iterations. iteration 54: trace = 0.0007452609271400371 (2.15924% change) linmin: converged after 4 iterations. iteration 55: trace = 0.0007399621295472298 (0.713536% change) linmin: converged after 4 iterations. iteration 56: trace = 0.0007354451060919515 (0.612309% change) large trace change predicted (1.82266%) linmin: converged after 4 iterations. iteration 57: trace = 0.0007218268493622616 (1.86901% change) linmin: converged after 3 iterations. iteration 58: trace = 0.0006978564989352915 (3.37686% change) linmin: converged after 4 iterations. iteration 59: trace = 0.0006862159288845188 (1.68208% change) linmin: converged after 4 iterations. iteration 60: trace = 0.0006814087152251829 (0.703002% change) linmin: converged after 4 iterations. iteration 61: trace = 0.0006741507190742478 (1.07085% change) linmin: converged after 4 iterations. iteration 62: trace = 0.0006599995940329203 (2.12137% change) linmin: converged after 4 iterations. iteration 63: trace = 0.0006513439268575549 (1.32012% change) linmin: converged after 4 iterations. iteration 64: trace = 0.0006488237794719898 (0.387665% change) linmin: converged after 4 iterations. iteration 65: trace = 0.0006469461202007415 (0.289814% change) large trace change predicted (0.810595%) linmin: converged after 4 iterations. iteration 66: trace = 0.0006416681505737842 (0.81917% change) linmin: converged after 4 iterations. iteration 67: trace = 0.000631548477672626 (1.58962% change) linmin: converged after 4 iterations. iteration 68: trace = 0.000626013683501441 (0.880242% change) linmin: converged after 4 iterations. iteration 69: trace = 0.0006237063576469151 (0.369255% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 0.0006229823627496076 (0.116147% change) large trace change predicted (0.609708%) linmin: converged after 3 iterations. iteration 71: trace = 0.0006191863134158947 (0.611197% change) large trace change predicted (1.7554%) linmin: converged after 3 iterations. iteration 72: trace = 0.0006083344731370278 (1.76809% change) linmin: converged after 3 iterations. iteration 73: trace = 0.0006039819544211068 (0.71805% change) linmin: converged after 3 iterations. iteration 74: trace = 0.0005953481801312867 (1.43977% change) linmin: converged after 3 iterations. iteration 75: trace = 0.0005790998597499504 (2.76697% change) linmin: converged after 4 iterations. iteration 76: trace = 0.000563661539392587 (2.70193% change) linmin: converged after 2 iterations. iteration 77: trace = 0.0005632767885225202 (0.0682825% change) large trace change predicted (0.15294%) linmin: converged after 3 iterations. iteration 78: trace = 0.0005624159234860933 (0.152948% change) large trace change predicted (0.911925%) linmin: converged after 3 iterations. iteration 79: trace = 0.0005573063060958973 (0.912658% change) linmin: converged after 3 iterations. iteration 80: trace = 0.0005534008786967546 (0.703233% change) linmin: converged after 3 iterations. iteration 81: trace = 0.0005527445947017196 (0.118661% change) linmin: converged after 3 iterations. iteration 82: trace = 0.0005523222164450316 (0.0764439% change) linmin: converged after 3 iterations. iteration 83: trace = 0.0005515161192021463 (0.146053% change) large trace change predicted (0.456202%) linmin: converged after 3 iterations. iteration 84: trace = 0.0005490276986437733 (0.452217% change) linmin: converged after 3 iterations. iteration 85: trace = 0.000548697623166275 (0.0601381% change) linmin: converged after 3 iterations. iteration 86: trace = 0.000548547139736228 (0.0274293% change) large trace change predicted (0.104834%) linmin: converged after 3 iterations. iteration 87: trace = 0.0005479727715651212 (0.104762% change) linmin: converged after 2 iterations. iteration 88: trace = 0.0005475046960744757 (0.085456% change) linmin: converged after 2 iterations. iteration 89: trace = 0.000547352646912068 (0.0277752% change) linmin: converged after 2 iterations. iteration 90: trace = 0.000547280029082484 (0.013268% change) large trace change predicted (0.180543%) linmin: converged after 4 iterations. iteration 91: trace = 0.0005462881158847613 (0.181409% change) linmin: converged after 2 iterations. iteration 92: trace = 0.0005461207310603968 (0.0306451% change) linmin: converged after 2 iterations. iteration 93: trace = 0.00054585056983826 (0.0494814% change) linmin: converged after 2 iterations. iteration 94: trace = 0.0005457798751030312 (0.0129521% change) large trace change predicted (0.0900923%) linmin: converged after 3 iterations. iteration 95: trace = 0.0005452882561753774 (0.090117% change) linmin: converged after 2 iterations. iteration 96: trace = 0.0005451436125531656 (0.0265296% change) large trace change predicted (0.0932169%) linmin: converged after 2 iterations. iteration 97: trace = 0.0005446353773016572 (0.0932731% change) linmin: converged after 2 iterations. iteration 98: trace = 0.0005446247544603002 (0.00195047% change) large trace change predicted (0.0828773%) linmin: converged after 3 iterations. iteration 99: trace = 0.0005441711389648834 (0.0833242% change) linmin: converged after 2 iterations. iteration 100: trace = 0.0005441562713012351 (0.0027322% change) large trace change predicted (0.0234901%) linmin: converged after 2 iterations. iteration 101: trace = 0.0005440282539580679 (0.0235286% change) linmin: converged after 2 iterations. iteration 102: trace = 0.0005440227592689676 (0.00101001% change) large trace change predicted (0.0204397%) linmin: converged after 2 iterations. iteration 103: trace = 0.000543911490824616 (0.020455% change) linmin: converged after 2 iterations. iteration 104: trace = 0.0005439052442572321 (0.00114846% change) large trace change predicted (0.0118837%) linmin: converged after 3 iterations. iteration 105: trace = 0.0005438406202166766 (0.0118822% change) linmin: converged after 2 iterations. iteration 106: trace = 0.0005438370058492498 (0.000664603% change) large trace change predicted (0.0154666%) linmin: converged after 3 iterations. iteration 107: trace = 0.0005437529696060809 (0.0154537% change) linmin: converged after 2 iterations. iteration 108: trace = 0.000543751183865938 (0.000328411% change) large trace change predicted (0.0115138%) linmin: converged after 3 iterations. iteration 109: trace = 0.0005436886019066618 (0.01151% change) linmin: converged after 2 iterations. iteration 110: trace = 0.0005436852057078605 (0.000624661% change) large trace change predicted (0.00985811%) linmin: converged after 2 iterations. iteration 111: trace = 0.000543631575240461 (0.00986474% change) linmin: converged after 2 iterations. iteration 112: trace = 0.0005436284958338527 (0.000566453% change) large trace change predicted (0.0021314%) linmin: converged after 2 iterations. iteration 113: trace = 0.0005436169071216119 (0.00213176% change) linmin: converged after 2 iterations. iteration 114: trace = 0.0005436159200511586 (0.000181575% change) large trace change predicted (0.00286192%) linmin: converged after 2 iterations. iteration 115: trace = 0.0005436003613041888 (0.00286213% change) linmin: converged after 2 iterations. iteration 116: trace = 0.0005435990227764274 (0.000246234% change) large trace change predicted (0.000702071%) linmin: converged after 2 iterations. iteration 117: trace = 0.0005435952063726313 (0.000702065% change) linmin: converged after 2 iterations. iteration 118: trace = 0.0005435933072447329 (0.000349365% change) large trace change predicted (0.000866676%) linmin: converged after 2 iterations. iteration 119: trace = 0.000543588596069549 (0.000866677% change) linmin: converged after 2 iterations. iteration 120: trace = 0.0005435874257158588 (0.000215302% change) large trace change predicted (0.00086939%) linmin: converged after 2 iterations. iteration 121: trace = 0.0005435826998293033 (0.000869392% change) linmin: converged after 2 iterations. iteration 122: trace = 0.0005435806841367148 (0.000370817% change) linmin: converged after 2 iterations. iteration 123: trace = 0.0005435794454347649 (0.000227878% change) linmin: converged after 2 iterations. iteration 124: trace = 0.0005435780840932745 (0.000250441% change) linmin: converged after 2 iterations. iteration 125: trace = 0.0005435754863676812 (0.000477895% change) linmin: converged after 2 iterations. iteration 126: trace = 0.0005435742830254591 (0.000221376% change) linmin: converged after 2 iterations. iteration 127: trace = 0.0005435740402267252 (4.46671e-05% change) large trace change predicted (0.000217248%) linmin: converged after 2 iterations. iteration 128: trace = 0.0005435728593590635 (0.000217242% change) linmin: converged after 2 iterations. iteration 129: trace = 0.0005435727903942397 (1.26873e-05% change) large trace change predicted (0.000125585%) linmin: converged after 2 iterations. iteration 130: trace = 0.0005435721077554107 (0.000125584% change) linmin: converged after 2 iterations. iteration 131: trace = 0.0005435720965422163 (2.06287e-06% change) large trace change predicted (1.96188e-05%) linmin: converged after 2 iterations. iteration 132: trace = 0.0005435719898999679 (1.96188e-05% change) linmin: converged after 2 iterations. iteration 133: trace = 0.0005435719754110568 (2.6655e-06% change) large trace change predicted (4.27192e-05%) linmin: converged after 2 iterations. iteration 134: trace = 0.0005435717432022123 (4.27191e-05% change) linmin: converged after 2 iterations. iteration 135: trace = 0.0005435717317228759 (2.11183e-06% change) large trace change predicted (2.06095e-05%) linmin: converged after 2 iterations. iteration 136: trace = 0.0005435716196959265 (2.06094e-05% change) linmin: converged after 2 iterations. iteration 137: trace = 0.0005435716102495218 (1.73784e-06% change) large trace change predicted (2.10141e-05%) linmin: converged after 2 iterations. iteration 138: trace = 0.0005435714960228681 (2.10141e-05% change) linmin: converged after 2 iterations. iteration 139: trace = 0.0005435714922129098 (7.00912e-07% change) Finished solving for bands 1 to 1 after 139 iterations. tmfreqs:, 1, 0.5, 0.5, 0, 0.141421, 0.314159 .elapsed time for k point: 0.6500301361083984 total elapsed time for run: 0.6565337181091309 done /tmp/meepakjAzV/test_point_defect_state-0: 67.55s /tmp/meepakjAzV/test_poynting-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013644695281982422 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14481234550476074 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.41651391983032227 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09048724174499512 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08297204971313477 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09758424758911133 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15033221244812012 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1137552261352539 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09792351722717285 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08311033248901367 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.0788421630859375 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 /build/reproducible-path/meep-1.29.0/python/meep/mpb/solver.py:366: DeprecationWarning: __array__ implementation doesn't accept a copy keyword, so passing copy=False failed. __array__ must implement 'dtype' and 'copy' keyword arguments. To learn more, see the migration guide https://numpy.org/devdocs/numpy_2_0_migration_guide.html#adapting-to-changes-in-the-copy-keyword res[i] = np.array(ExH(e[i], h[i])) elapsed time for k point: 0.07829499244689941 Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b01.te.h5... Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b02.te.h5... Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b03.te.h5... Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b04.te.h5... Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b05.te.h5... Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b06.te.h5... Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b07.te.h5... Outputting fields to /tmp/meepakjAzV/test_poynting-0-flux.v.k11.b08.te.h5... solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.0650169849395752 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.0760495662689209 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.09927058219909668 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.17567038536071777 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 ..elapsed time for k point: 0.37209200859069824 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.3494064807891846 done /tmp/meepakjAzV/test_poynting-0: 2.36s /tmp/meepakjAzV/test_resolution-0 ======================== /tmp/meepakjAzV/test_resolution-0: 0.00s /tmp/meepakjAzV/test_run_te-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013689994812011719 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1540241241455078 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4494349956512451 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09306669235229492 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08637166023254395 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09719038009643555 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.15060925483703613 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1396491527557373 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09959149360656738 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08922934532165527 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.08119726181030273 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07942318916320801 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06420469284057617 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07173395156860352 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10366559028625488 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11652874946594238 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.2608664035797119 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.1394689083099365 done /tmp/meepakjAzV/test_run_te-0: 2.14s /tmp/meepakjAzV/test_run_te_no_geometry-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-07 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: Geometric object tree has depth 1 and 0 object nodes (vs. 0 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0009706020355224609 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 28.19057071787513 (190.727% change) linmin: converged after 7 iterations. iteration 2: trace = 10.91238426133213 (88.3728% change) linmin: converged after 5 iterations. iteration 3: trace = 10.06024105139971 (8.12624% change) linmin: converged after 4 iterations. iteration 4: trace = 10.00201229636663 (0.580481% change) linmin: converged after 4 iterations. iteration 5: trace = 10.00007845652677 (0.0193364% change) linmin: converged after 2 iterations. iteration 6: trace = 10.00000129987289 (0.000771563% change) linmin: converged after 2 iterations. iteration 7: trace = 10.00000004221536 (1.25766e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.00000000175005 (4.04653e-07% change) Finished solving for bands 2 to 8 after 8 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 elapsed time for k point: 0.024250030517578125 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 5 iterations. iteration 1: trace = 9.880000133291681 (2.3702% change) linmin: converged after 2 iterations. iteration 2: trace = 9.880000004055377 (1.30806e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.1, 0.9, 1.00499, 1.00499, 1.1, 1.34536, 1.34536, 1.48661 elapsed time for k point: 0.009070873260498047 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.920000000339346 (3.76491e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.2, 0.8, 1.0198, 1.0198, 1.2, 1.28062, 1.28062, 1.56205 elapsed time for k point: 0.005591154098510742 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.12000000005403 (2.56717e-09% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.3, 0.7, 1.04403, 1.04403, 1.22066, 1.22066, 1.3, 1.64012 elapsed time for k point: 0.005658149719238281 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.48000000000711 (3.43813e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.4, 0.6, 1.07703, 1.07703, 1.16619, 1.16619, 1.4, 1.72047 elapsed time for k point: 0.0061075687408447266 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.99999999989867 (8.97997e-10% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.5, 0.5, 1.11803, 1.11803, 1.11803, 1.11803, 1.5, 1.80278 elapsed time for k point: 0.005666017532348633 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 7 iterations. iteration 1: trace = 10.88000039707305 (2.97958% change) linmin: converged after 2 iterations. iteration 2: trace = 10.87999995545266 (4.05901e-06% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.509902, 0.509902, 1.02956, 1.02956, 1.2083, 1.2083, 1.50333, 1.74929 elapsed time for k point: 0.008935213088989258 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 10.72763995153733 (1.77719% change) linmin: converged after 2 iterations. iteration 2: trace = 10.72763986624717 (7.95051e-07% change) Finished solving for bands 1 to 8 after 2 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.538516, 0.566775, 0.956971, 0.9598, 1.3061, 1.30974, 1.52004, 1.59611 elapsed time for k point: 0.008944511413574219 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 10.85836182238218 (1.70315% change) linmin: converged after 4 iterations. iteration 2: trace = 10.75311149811511 (0.974023% change) linmin: converged after 4 iterations. iteration 3: trace = 10.72171121561062 (0.292438% change) linmin: converged after 4 iterations. iteration 4: trace = 10.72014292833308 (0.0146283% change) linmin: converged after 2 iterations. iteration 5: trace = 10.72002114849349 (0.001136% change) linmin: converged after 2 iterations. iteration 6: trace = 10.72000263415471 (0.000172708% change) linmin: converged after 2 iterations. iteration 7: trace = 10.72000060484828 (1.89301e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 10.7200001769306 (3.99177e-06% change) Finished solving for bands 1 to 8 after 8 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.583095, 0.583095, 0.860233, 0.860233, 1.39284, 1.39284, 1.52971, 1.52971 elapsed time for k point: 0.02850627899169922 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 11.28000006011032 (3.51788e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.640312, 0.640312, 0.781025, 0.781025, 1.48661, 1.48661, 1.55242, 1.55242 elapsed time for k point: 0.006895542144775391 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 12.00000000012884 (4.02124e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.707107, 0.707107, 0.707107, 0.707107, 1.58114, 1.58114, 1.58114, 1.58114 elapsed time for k point: 0.006008148193359375 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 11.04529896859918 (2.80917% change) linmin: converged after 2 iterations. iteration 2: trace = 11.04529779144371 (1.06575e-05% change) linmin: converged after 2 iterations. iteration 3: trace = 11.04529660614459 (1.07313e-05% change) linmin: converged after 2 iterations. iteration 4: trace = 11.04529541260548 (1.08059e-05% change) linmin: converged after 2 iterations. iteration 5: trace = 11.04529421072844 (1.08813e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 11.04529300041396 (1.09577e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 11.04529178156084 (1.1035e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 11.04529055406609 (1.11133e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 11.04528931782503 (1.11925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 11.04528807273116 (1.12726e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 11.04528681867615 (1.13538e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 11.04528555554979 (1.14359e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 11.04528428324 (1.1519e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 11.04528300163266 (1.16032e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 11.04528171061168 (1.16884e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 11.04528041005893 (1.17747e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 11.04527909985421 (1.18621e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 11.04527777987509 (1.19506e-05% change) linmin: converged after 2 iterations. iteration 19: trace = 11.04527644999708 (1.20402e-05% change) linmin: converged after 2 iterations. iteration 20: trace = 11.04527511009332 (1.2131e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 11.04527376003476 (1.2223e-05% change) linmin: converged after 2 iterations. iteration 22: trace = 11.04527239968992 (1.23161e-05% change) linmin: converged after 2 iterations. iteration 23: trace = 11.04527102892502 (1.24104e-05% change) linmin: converged after 2 iterations. iteration 24: trace = 11.04526964760372 (1.2506e-05% change) linmin: converged after 2 iterations. iteration 25: trace = 11.04526825558725 (1.26028e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 11.04526685273423 (1.27009e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 11.04526543890069 (1.28004e-05% change) linmin: converged after 2 iterations. iteration 28: trace = 11.04526401393993 (1.29011e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 11.04526257770253 (1.30032e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 11.04526113003624 (1.31067e-05% change) linmin: converged after 2 iterations. iteration 31: trace = 11.04525967078593 (1.32116e-05% change) linmin: converged after 2 iterations. iteration 32: trace = 11.04525819979352 (1.33179e-05% change) linmin: converged after 2 iterations. iteration 33: trace = 11.04525671689793 (1.34256e-05% change) linmin: converged after 2 iterations. iteration 34: trace = 11.04525522193496 (1.35349e-05% change) linmin: converged after 2 iterations. iteration 35: trace = 11.04525371473728 (1.36457e-05% change) linmin: converged after 2 iterations. iteration 36: trace = 11.04525219513427 (1.3758e-05% change) linmin: converged after 2 iterations. iteration 37: trace = 11.04525066295204 (1.38719e-05% change) linmin: converged after 2 iterations. iteration 38: trace = 11.04524911801332 (1.39874e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 11.04524756013732 (1.41045e-05% change) linmin: converged after 2 iterations. iteration 40: trace = 11.04524598913968 (1.42233e-05% change) linmin: converged after 2 iterations. iteration 41: trace = 11.04524440483243 (1.43438e-05% change) linmin: converged after 2 iterations. iteration 42: trace = 11.04524280702389 (1.4466e-05% change) linmin: converged after 3 iterations. iteration 43: trace = 11.04524119551851 (1.459e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 11.0452395701165 (1.47159e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 11.04523793061477 (1.48435e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 11.0452362768057 (1.49731e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 11.04523460847756 (1.51045e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 11.0452329254143 (1.52379e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 11.04523122739539 (1.53733e-05% change) linmin: converged after 3 iterations. iteration 50: trace = 11.04522951419586 (1.55108e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 11.04522778558607 (1.56503e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 11.04522604133166 (1.57919e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 11.04522428119343 (1.59357e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 11.04522250492716 (1.60818e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 11.04522071228361 (1.623e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 11.04521890300823 (1.63806e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 11.04521707684125 (1.65336e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 11.04521523351733 (1.66889e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 11.04521337276557 (1.68467e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 11.04521149430935 (1.7007e-05% change) linmin: converged after 3 iterations. iteration 61: trace = 11.04520959786615 (1.71698e-05% change) linmin: converged after 3 iterations. iteration 62: trace = 11.04520768314745 (1.73353e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 11.0452057498586 (1.75034e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 11.04520379769866 (1.76743e-05% change) linmin: converged after 3 iterations. iteration 65: trace = 11.04520182636015 (1.78479e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 11.04519983552916 (1.80244e-05% change) linmin: converged after 3 iterations. iteration 67: trace = 11.04519782488486 (1.82038e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 11.04519579409965 (1.83861e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 11.04519374283882 (1.85715e-05% change) resetting CG direction... large trace change predicted (0.52935%) linmin: converged after 4 iterations. iteration 70: trace = 10.98570566235606 (0.540042% change) linmin: converged after 4 iterations. iteration 71: trace = 10.96854022981744 (0.156375% change) linmin: converged after 4 iterations. iteration 72: trace = 10.96130326736854 (0.066001% change) linmin: converged after 3 iterations. iteration 73: trace = 10.96015412894814 (0.0104841% change) linmin: converged after 2 iterations. iteration 74: trace = 10.96003366816295 (0.00109909% change) linmin: converged after 2 iterations. iteration 75: trace = 10.96000289704679 (0.000280758% change) linmin: converged after 2 iterations. iteration 76: trace = 10.96000031343341 (2.35731e-05% change) linmin: converged after 2 iterations. iteration 77: trace = 10.96000007994673 (2.13035e-06% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.565685, 0.72111, 0.72111, 0.848528, 1.45602, 1.45602, 1.52315, 1.52315 elapsed time for k point: 0.29754114151000977 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.24000001500887 (1.09258e-06% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.424264, 0.761577, 0.761577, 0.989949, 1.33417, 1.33417, 1.47648, 1.47648 elapsed time for k point: 0.005600452423095703 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.840000001756971 (1.78163e-07% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.282843, 0.824621, 0.824621, 1.13137, 1.21655, 1.21655, 1.44222, 1.44222 elapsed time for k point: 0.005917549133300781 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 1 iterations. iteration 1: trace = 9.760000000165837 (2.02392e-08% change) Finished solving for bands 1 to 8 after 1 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.141421, 0.905539, 0.905539, 1.10454, 1.10454, 1.27279, 1.42127, 1.42127 elapsed time for k point: 0.0057239532470703125 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 1 iterations. iteration 1: trace = 10.00000000001522 (1.76508e-09% change) Finished solving for bands 2 to 8 after 1 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 1, 1, 1, 1, 1.41421, 1.41421, 1.41421 .elapsed time for k point: 0.0047359466552734375 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.7071067811865476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.5000000000350691 at Vector3<0.5, 0.0, 0.0> to 1.0000000000464644 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.7071067811884213 at Vector3<0.5, 0.5, 0.0> to 1.1180339887555262 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7071067811901179 at Vector3<0.5, 0.5, 0.0> to 1.1313708499266777 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Band 5 range: 1.0000000000010276 at Vector3<0.0, 0.0, 0.0> to 1.5811388300846385 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.118033988768711 at Vector3<0.5, 0.0, 0.0> to 1.581138830085848 at Vector3<0.5, 0.5, 0.0> Band 7 range: 1.2806248475164035 at Vector3<0.2, 0.0, 0.0> to 1.581138830089242 at Vector3<0.5, 0.5, 0.0> Band 8 range: 1.4142135623752834 at Vector3<0.0, 0.0, 0.0> to 1.802775637652445 at Vector3<0.5, 0.0, 0.0> total elapsed time for run: 0.4374094009399414 done /tmp/meepakjAzV/test_run_te_no_geometry-0: 0.44s /tmp/meepakjAzV/test_run_te_with_mu_material-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Initializing mu function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0019617080688476562 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 37.07995427807216 (187.597% change) linmin: converged after 10 iterations. iteration 2: trace = 15.08208968479109 (84.3443% change) linmin: converged after 5 iterations. iteration 3: trace = 12.99875116715977 (14.8381% change) linmin: converged after 5 iterations. iteration 4: trace = 11.69137614546987 (10.5903% change) linmin: converged after 6 iterations. iteration 5: trace = 10.73396991772583 (8.53861% change) linmin: converged after 6 iterations. iteration 6: trace = 10.10267619616788 (6.05946% change) linmin: converged after 7 iterations. iteration 7: trace = 9.256976067648564 (8.73673% change) linmin: converged after 5 iterations. iteration 8: trace = 8.850990945429702 (4.48405% change) linmin: converged after 5 iterations. iteration 9: trace = 8.599260233942143 (2.88512% change) linmin: converged after 4 iterations. iteration 10: trace = 8.316373997538543 (3.34467% change) linmin: converged after 7 iterations. iteration 11: trace = 8.106938042095054 (2.55047% change) linmin: converged after 5 iterations. iteration 12: trace = 7.905014359807277 (2.52216% change) linmin: converged after 6 iterations. iteration 13: trace = 7.66004402676575 (3.1477% change) linmin: converged after 5 iterations. iteration 14: trace = 7.496221791814361 (2.16178% change) linmin: converged after 6 iterations. iteration 15: trace = 7.355401169824328 (1.89637% change) linmin: converged after 3 iterations. iteration 16: trace = 7.25138037927162 (1.42428% change) linmin: converged after 4 iterations. iteration 17: trace = 7.18127962592026 (0.971418% change) linmin: converged after 4 iterations. iteration 18: trace = 7.129535994668335 (0.72314% change) linmin: converged after 4 iterations. iteration 19: trace = 7.092299379694719 (0.523654% change) linmin: converged after 4 iterations. iteration 20: trace = 7.062880914156482 (0.415657% change) linmin: converged after 4 iterations. iteration 21: trace = 7.04200912493808 (0.295951% change) linmin: converged after 4 iterations. iteration 22: trace = 7.01524989339069 (0.380718% change) linmin: converged after 4 iterations. iteration 23: trace = 6.993639025788045 (0.308531% change) linmin: converged after 8 iterations. iteration 24: trace = 6.975094420246651 (0.265516% change) linmin: converged after 5 iterations. iteration 25: trace = 6.96129066819734 (0.198097% change) linmin: converged after 4 iterations. iteration 26: trace = 6.952090594751325 (0.132248% change) linmin: converged after 4 iterations. iteration 27: trace = 6.944594434093401 (0.107884% change) linmin: converged after 4 iterations. iteration 28: trace = 6.939427076292032 (0.074436% change) linmin: converged after 4 iterations. iteration 29: trace = 6.935335630125506 (0.0589768% change) linmin: converged after 4 iterations. iteration 30: trace = 6.931440743641201 (0.0561758% change) linmin: converged after 3 iterations. iteration 31: trace = 6.927493558556012 (0.0569623% change) linmin: converged after 4 iterations. iteration 32: trace = 6.924575579446426 (0.0421306% change) linmin: converged after 3 iterations. iteration 33: trace = 6.921956091676289 (0.037836% change) linmin: converged after 3 iterations. iteration 34: trace = 6.919902275915221 (0.0296754% change) linmin: converged after 3 iterations. iteration 35: trace = 6.918509942049907 (0.0201227% change) linmin: converged after 3 iterations. iteration 36: trace = 6.917294696916199 (0.0175667% change) linmin: converged after 3 iterations. iteration 37: trace = 6.916553713254161 (0.0107126% change) linmin: converged after 3 iterations. iteration 38: trace = 6.91592195252564 (0.00913446% change) linmin: converged after 3 iterations. iteration 39: trace = 6.915298971377789 (0.00900833% change) linmin: converged after 3 iterations. iteration 40: trace = 6.91474447112174 (0.00801878% change) linmin: converged after 3 iterations. iteration 41: trace = 6.914095943233724 (0.00937935% change) linmin: converged after 3 iterations. iteration 42: trace = 6.913507656487692 (0.00850887% change) linmin: converged after 8 iterations. iteration 43: trace = 6.913069239480913 (0.00634166% change) linmin: converged after 3 iterations. iteration 44: trace = 6.912734881381486 (0.00483673% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912459643390853 (0.00398169% change) linmin: converged after 4 iterations. iteration 46: trace = 6.912146917653812 (0.00452419% change) linmin: converged after 4 iterations. iteration 47: trace = 6.911807830853411 (0.00490579% change) linmin: converged after 4 iterations. iteration 48: trace = 6.911408698906524 (0.00577481% change) linmin: converged after 4 iterations. iteration 49: trace = 6.910951335392645 (0.00661773% change) linmin: converged after 5 iterations. iteration 50: trace = 6.910392908113636 (0.00808065% change) linmin: converged after 3 iterations. iteration 51: trace = 6.909889294482325 (0.00728804% change) linmin: converged after 3 iterations. iteration 52: trace = 6.909402304349431 (0.00704798% change) linmin: converged after 3 iterations. iteration 53: trace = 6.908895116671033 (0.00734081% change) linmin: converged after 4 iterations. iteration 54: trace = 6.908191912501293 (0.0101788% change) linmin: converged after 4 iterations. iteration 55: trace = 6.90710883112386 (0.0156794% change) linmin: converged after 4 iterations. iteration 56: trace = 6.906076217406182 (0.0149511% change) linmin: converged after 4 iterations. iteration 57: trace = 6.904928772548434 (0.0166164% change) linmin: converged after 4 iterations. iteration 58: trace = 6.903780583710775 (0.0166299% change) linmin: converged after 4 iterations. iteration 59: trace = 6.902624626379937 (0.0167452% change) linmin: converged after 4 iterations. iteration 60: trace = 6.900943191340757 (0.0243623% change) linmin: converged after 4 iterations. iteration 61: trace = 6.899190661670234 (0.0253987% change) linmin: converged after 3 iterations. iteration 62: trace = 6.897351294441989 (0.0266642% change) linmin: converged after 4 iterations. iteration 63: trace = 6.895376358666823 (0.0286373% change) linmin: converged after 4 iterations. iteration 64: trace = 6.893892251740695 (0.0215255% change) linmin: converged after 4 iterations. iteration 65: trace = 6.892335263920407 (0.0225876% change) linmin: converged after 7 iterations. iteration 66: trace = 6.890751058062829 (0.0229877% change) linmin: converged after 9 iterations. iteration 67: trace = 6.889435731369418 (0.0190901% change) linmin: converged after 7 iterations. iteration 68: trace = 6.888124775453085 (0.0190303% change) linmin: converged after 4 iterations. iteration 69: trace = 6.886910014225027 (0.0176371% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.884767233747802 (0.0311187% change) linmin: converged after 4 iterations. iteration 71: trace = 6.882633388107598 (0.0309985% change) linmin: converged after 3 iterations. iteration 72: trace = 6.881095113147398 (0.0223526% change) linmin: converged after 3 iterations. iteration 73: trace = 6.879946597465866 (0.0166923% change) linmin: converged after 3 iterations. iteration 74: trace = 6.879316461763979 (0.00915944% change) linmin: converged after 3 iterations. iteration 75: trace = 6.878537080938592 (0.01133% change) linmin: converged after 4 iterations. iteration 76: trace = 6.877914173461376 (0.00905622% change) linmin: converged after 4 iterations. iteration 77: trace = 6.876925949192698 (0.0143691% change) linmin: converged after 4 iterations. iteration 78: trace = 6.875996382391897 (0.0135181% change) linmin: converged after 4 iterations. iteration 79: trace = 6.874606999429915 (0.0202083% change) linmin: converged after 4 iterations. iteration 80: trace = 6.87371438074915 (0.0129851% change) linmin: converged after 4 iterations. iteration 81: trace = 6.872576207635754 (0.0165597% change) linmin: converged after 7 iterations. iteration 82: trace = 6.870977202633987 (0.0232692% change) linmin: converged after 5 iterations. iteration 83: trace = 6.868687858317934 (0.0333246% change) linmin: converged after 4 iterations. iteration 84: trace = 6.867477619854848 (0.0176212% change) linmin: converged after 4 iterations. iteration 85: trace = 6.866565169788672 (0.0132874% change) linmin: converged after 5 iterations. iteration 86: trace = 6.865179368844953 (0.0201839% change) linmin: converged after 4 iterations. iteration 87: trace = 6.862623639477074 (0.0372344% change) linmin: converged after 9 iterations. iteration 88: trace = 6.861124924024436 (0.0218412% change) linmin: converged after 3 iterations. iteration 89: trace = 6.86020411011665 (0.0134216% change) linmin: converged after 4 iterations. iteration 90: trace = 6.858995938766675 (0.0176129% change) linmin: converged after 8 iterations. iteration 91: trace = 6.858118224149518 (0.0127974% change) linmin: converged after 4 iterations. iteration 92: trace = 6.857128033363196 (0.0144393% change) linmin: converged after 4 iterations. iteration 93: trace = 6.856378784887522 (0.0109272% change) linmin: converged after 3 iterations. iteration 94: trace = 6.855983889140656 (0.0057597% change) linmin: converged after 3 iterations. iteration 95: trace = 6.855775833331903 (0.00303471% change) linmin: converged after 3 iterations. iteration 96: trace = 6.855523309343187 (0.00368344% change) linmin: converged after 3 iterations. iteration 97: trace = 6.855274952752101 (0.00362279% change) linmin: converged after 3 iterations. iteration 98: trace = 6.855160805125712 (0.00166512% change) linmin: converged after 4 iterations. iteration 99: trace = 6.855076132484433 (0.00123517% change) linmin: converged after 4 iterations. iteration 100: trace = 6.854953019016813 (0.00179596% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854818094129846 (0.0019683% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854758809724524 (0.000864861% change) linmin: converged after 4 iterations. iteration 103: trace = 6.854718951325869 (0.000581472% change) linmin: converged after 4 iterations. iteration 104: trace = 6.854683880320641 (0.000511634% change) linmin: converged after 4 iterations. iteration 105: trace = 6.854645200256241 (0.000564288% change) linmin: converged after 5 iterations. iteration 106: trace = 6.854612594542651 (0.000475674% change) linmin: converged after 4 iterations. iteration 107: trace = 6.854584016419467 (0.000416919% change) linmin: converged after 4 iterations. iteration 108: trace = 6.854554271133996 (0.000433948% change) linmin: converged after 3 iterations. iteration 109: trace = 6.854529730460362 (0.000358021% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854510325957323 (0.000283091% change) linmin: converged after 3 iterations. iteration 111: trace = 6.85448944087829 (0.000304692% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854472899994951 (0.000241315% change) linmin: converged after 4 iterations. iteration 113: trace = 6.854456195685512 (0.0002437% change) linmin: converged after 6 iterations. iteration 114: trace = 6.854435502377167 (0.000301896% change) linmin: converged after 4 iterations. iteration 115: trace = 6.854411317435466 (0.000352837% change) linmin: converged after 5 iterations. iteration 116: trace = 6.854399035692262 (0.00017918% change) linmin: converged after 4 iterations. iteration 117: trace = 6.85439110503745 (0.000115702% change) large trace change predicted (0.00026524%) linmin: converged after 4 iterations. iteration 118: trace = 6.854372905590728 (0.000265516% change) linmin: converged after 3 iterations. iteration 119: trace = 6.854352891527244 (0.00029199% change) linmin: converged after 4 iterations. iteration 120: trace = 6.85434355890188 (0.000136156% change) linmin: converged after 4 iterations. iteration 121: trace = 6.854338050697774 (8.03608e-05% change) linmin: converged after 4 iterations. iteration 122: trace = 6.854333109605347 (7.20871e-05% change) linmin: converged after 9 iterations. iteration 123: trace = 6.854329720339158 (4.94471e-05% change) linmin: converged after 5 iterations. iteration 124: trace = 6.854326963725112 (4.02171e-05% change) linmin: converged after 11 iterations. iteration 125: trace = 6.854323815940363 (4.59241e-05% change) linmin: converged after 4 iterations. iteration 126: trace = 6.85432065377065 (4.6134e-05% change) linmin: converged after 5 iterations. iteration 127: trace = 6.854318503229075 (3.1375e-05% change) linmin: converged after 3 iterations. iteration 128: trace = 6.85431648171146 (2.94926e-05% change) linmin: converged after 4 iterations. iteration 129: trace = 6.85431496842183 (2.20779e-05% change) linmin: converged after 4 iterations. iteration 130: trace = 6.854314299958991 (9.75244e-06% change) linmin: converged after 4 iterations. iteration 131: trace = 6.854313678981406 (9.05966e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.854312884200549 (1.15953e-05% change) linmin: converged after 14 iterations. iteration 133: trace = 6.854311865489204 (1.48623e-05% change) linmin: converged after 9 iterations. iteration 134: trace = 6.8543112985851 (8.27077e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.85431082436196 (6.91861e-06% change) linmin: converged after 19 iterations. iteration 136: trace = 6.85431016755307 (9.58242e-06% change) linmin: converged after 4 iterations. iteration 137: trace = 6.854309289832013 (1.28054e-05% change) linmin: converged after 7 iterations. iteration 138: trace = 6.854308657163957 (9.23022e-06% change) linmin: converged after 7 iterations. iteration 139: trace = 6.854307924048323 (1.06957e-05% change) resetting CG direction... linmin: converged after 5 iterations. iteration 140: trace = 6.854307417903981 (7.38432e-06% change) linmin: converged after 4 iterations. iteration 141: trace = 6.854306969909167 (6.53596e-06% change) linmin: converged after 10 iterations. iteration 142: trace = 6.854306474593885 (7.22634e-06% change) linmin: converged after 5 iterations. iteration 143: trace = 6.854306058607152 (6.06898e-06% change) linmin: converged after 3 iterations. iteration 144: trace = 6.854305757073451 (4.39919e-06% change) linmin: converged after 9 iterations. iteration 145: trace = 6.854305444818706 (4.5556e-06% change) linmin: converged after 4 iterations. iteration 146: trace = 6.854304890203396 (8.09149e-06% change) linmin: converged after 4 iterations. iteration 147: trace = 6.854304491534048 (5.81634e-06% change) linmin: converged after 8 iterations. iteration 148: trace = 6.854304291620394 (2.91661e-06% change) linmin: converged after 4 iterations. iteration 149: trace = 6.854304060869168 (3.36652e-06% change) linmin: converged after 7 iterations. iteration 150: trace = 6.854303700869671 (5.25217e-06% change) linmin: converged after 4 iterations. iteration 151: trace = 6.854303402069196 (4.35931e-06% change) linmin: converged after 7 iterations. iteration 152: trace = 6.854303138078888 (3.85145e-06% change) linmin: converged after 4 iterations. iteration 153: trace = 6.854302877278233 (3.80492e-06% change) linmin: converged after 6 iterations. iteration 154: trace = 6.85430263973824 (3.46556e-06% change) linmin: converged after 8 iterations. iteration 155: trace = 6.854302422483039 (3.16962e-06% change) linmin: converged after 4 iterations. iteration 156: trace = 6.854302260254244 (2.36682e-06% change) linmin: converged after 6 iterations. iteration 157: trace = 6.8543020229519 (3.46209e-06% change) linmin: converged after 8 iterations. iteration 158: trace = 6.854301803061127 (3.20807e-06% change) linmin: converged after 5 iterations. iteration 159: trace = 6.85430155803313 (3.57481e-06% change) linmin: converged after 4 iterations. iteration 160: trace = 6.85430140416215 (2.24488e-06% change) linmin: converged after 5 iterations. iteration 161: trace = 6.854301308348163 (1.39787e-06% change) linmin: converged after 7 iterations. iteration 162: trace = 6.854301245799444 (9.12547e-07% change) linmin: converged after 5 iterations. iteration 163: trace = 6.854301157825049 (1.28349e-06% change) linmin: converged after 5 iterations. iteration 164: trace = 6.854301069005924 (1.29582e-06% change) linmin: converged after 5 iterations. iteration 165: trace = 6.854301009952136 (8.61558e-07% change) linmin: converged after 5 iterations. iteration 166: trace = 6.854300969705365 (5.87175e-07% change) linmin: converged after 4 iterations. iteration 167: trace = 6.854300948076833 (3.15547e-07% change) linmin: converged after 13 iterations. iteration 168: trace = 6.854300932065348 (2.33598e-07% change) linmin: converged after 4 iterations. iteration 169: trace = 6.854300911070707 (3.06299e-07% change) linmin: converged after 4 iterations. iteration 170: trace = 6.85430089188397 (2.79923e-07% change) linmin: converged after 10 iterations. iteration 171: trace = 6.854300881295973 (1.54472e-07% change) linmin: converged after 4 iterations. iteration 172: trace = 6.85430087306035 (1.20153e-07% change) linmin: converged after 11 iterations. iteration 173: trace = 6.854300860996102 (1.7601e-07% change) linmin: converged after 4 iterations. iteration 174: trace = 6.854300852081534 (1.30058e-07% change) linmin: converged after 4 iterations. iteration 175: trace = 6.85430084275424 (1.36079e-07% change) linmin: converged after 6 iterations. iteration 176: trace = 6.854300830272249 (1.82105e-07% change) linmin: converged after 5 iterations. iteration 177: trace = 6.854300822603414 (1.11884e-07% change) linmin: converged after 4 iterations. iteration 178: trace = 6.854300817983078 (6.74078e-08% change) linmin: converged after 4 iterations. iteration 179: trace = 6.854300813562575 (6.44924e-08% change) linmin: converged after 27 iterations. iteration 180: trace = 6.85430080825131 (7.74881e-08% change) linmin: converged after 4 iterations. iteration 181: trace = 6.854300801798455 (9.41431e-08% change) linmin: converged after 5 iterations. iteration 182: trace = 6.854300795434934 (9.28398e-08% change) linmin: converged after 8 iterations. iteration 183: trace = 6.854300791298354 (6.03501e-08% change) linmin: converged after 6 iterations. iteration 184: trace = 6.854300788124082 (4.63107e-08% change) linmin: converged after 4 iterations. iteration 185: trace = 6.854300785155017 (4.33168e-08% change) linmin: converged after 5 iterations. iteration 186: trace = 6.854300781057044 (5.97869e-08% change) linmin: converged after 4 iterations. iteration 187: trace = 6.854300778450468 (3.80283e-08% change) linmin: converged after 4 iterations. iteration 188: trace = 6.854300776974714 (2.15303e-08% change) linmin: converged after 7 iterations. iteration 189: trace = 6.854300775732911 (1.81171e-08% change) linmin: converged after 21 iterations. iteration 190: trace = 6.854300774376568 (1.97882e-08% change) linmin: converged after 4 iterations. iteration 191: trace = 6.854300773192704 (1.72719e-08% change) linmin: converged after 5 iterations. iteration 192: trace = 6.854300772718631 (6.91643e-09% change) linmin: converged after 4 iterations. iteration 193: trace = 6.854300772373036 (5.04201e-09% change) linmin: converged after 4 iterations. iteration 194: trace = 6.854300771833355 (7.87361e-09% change) linmin: converged after 21 iterations. iteration 195: trace = 6.854300771437645 (5.77317e-09% change) linmin: converged after 15 iterations. iteration 196: trace = 6.854300771260495 (2.58451e-09% change) linmin: converged after 4 iterations. iteration 197: trace = 6.854300771187706 (1.06194e-09% change) linmin: converged after 12 iterations. iteration 198: trace = 6.854300771138262 (7.21357e-10% change) linmin: converged after 4 iterations. iteration 199: trace = 6.854300771070114 (9.94239e-10% change) linmin: converged after 9 iterations. iteration 200: trace = 6.85430077100915 (8.89422e-10% change) linmin: converged after 3 iterations. iteration 201: trace = 6.854300770986218 (3.34562e-10% change) linmin: converged after 2 iterations. iteration 202: trace = 6.854300770974715 (1.67819e-10% change) linmin: converged after 3 iterations. iteration 203: trace = 6.854300770964711 (1.45959e-10% change) linmin: converged after 5 iterations. iteration 204: trace = 6.85430077095844 (9.14962e-11% change) Finished solving for bands 2 to 8 after 204 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 1.1905722618103027 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 7.007537457446258 (11.2703% change) linmin: converged after 5 iterations. iteration 2: trace = 7.003247355935917 (0.06124% change) large trace change predicted (0.442958%) linmin: converged after 5 iterations. iteration 3: trace = 6.97513932471041 (0.402164% change) linmin: converged after 5 iterations. iteration 4: trace = 6.971270251122395 (0.0554849% change) large trace change predicted (0.226623%) linmin: converged after 4 iterations. iteration 5: trace = 6.95626746859895 (0.215441% change) linmin: converged after 5 iterations. iteration 6: trace = 6.933392870171838 (0.329376% change) linmin: converged after 5 iterations. iteration 7: trace = 6.931992239405091 (0.0202033% change) large trace change predicted (0.205291%) linmin: converged after 4 iterations. iteration 8: trace = 6.917331484602 (0.211718% change) linmin: converged after 9 iterations. iteration 9: trace = 6.902037331758033 (0.221344% change) linmin: converged after 4 iterations. iteration 10: trace = 6.900816451921457 (0.0176903% change) linmin: converged after 5 iterations. iteration 11: trace = 6.89872058529172 (0.0303759% change) large trace change predicted (0.158392%) linmin: converged after 6 iterations. iteration 12: trace = 6.88813042232098 (0.153627% change) linmin: converged after 3 iterations. iteration 13: trace = 6.885392679745547 (0.0397537% change) linmin: converged after 11 iterations. iteration 14: trace = 6.881023949808716 (0.0634694% change) large trace change predicted (0.551569%) linmin: converged after 6 iterations. iteration 15: trace = 6.85122300444239 (0.434029% change) linmin: converged after 5 iterations. iteration 16: trace = 6.848570426617911 (0.0387243% change) linmin: converged after 3 iterations. iteration 17: trace = 6.846532554158202 (0.0297606% change) large trace change predicted (0.118504%) linmin: converged after 6 iterations. iteration 18: trace = 6.838958717757984 (0.110684% change) linmin: converged after 3 iterations. iteration 19: trace = 6.838261210950048 (0.0101995% change) large trace change predicted (0.0363602%) linmin: converged after 3 iterations. iteration 20: trace = 6.835756740072389 (0.0366311% change) linmin: converged after 4 iterations. iteration 21: trace = 6.831548373033576 (0.061583% change) linmin: converged after 3 iterations. iteration 22: trace = 6.831144949422955 (0.00590548% change) large trace change predicted (0.0574298%) linmin: converged after 4 iterations. iteration 23: trace = 6.827114355778042 (0.0590206% change) linmin: converged after 4 iterations. iteration 24: trace = 6.823314259527984 (0.0556773% change) linmin: converged after 4 iterations. iteration 25: trace = 6.822904154140413 (0.00601054% change) large trace change predicted (0.0472521%) linmin: converged after 4 iterations. iteration 26: trace = 6.819507863331362 (0.0497902% change) linmin: converged after 4 iterations. iteration 27: trace = 6.818042501412231 (0.0214901% change) linmin: converged after 4 iterations. iteration 28: trace = 6.817386915346895 (0.00961592% change) large trace change predicted (0.0746117%) linmin: converged after 10 iterations. iteration 29: trace = 6.811801994343884 (0.0819553% change) linmin: converged after 4 iterations. iteration 30: trace = 6.811011821202275 (0.0116007% change) linmin: converged after 3 iterations. iteration 31: trace = 6.809751574221748 (0.0185048% change) large trace change predicted (0.0614976%) linmin: converged after 4 iterations. iteration 32: trace = 6.805453233659726 (0.0631403% change) linmin: converged after 4 iterations. iteration 33: trace = 6.805025660305189 (0.006283% change) large trace change predicted (0.0298744%) linmin: converged after 3 iterations. iteration 34: trace = 6.80296458043872 (0.0302922% change) linmin: converged after 3 iterations. iteration 35: trace = 6.800346857992223 (0.0384865% change) linmin: converged after 3 iterations. iteration 36: trace = 6.800157595674935 (0.00278317% change) large trace change predicted (0.0152532%) linmin: converged after 4 iterations. iteration 37: trace = 6.799129608070678 (0.0151183% change) linmin: converged after 4 iterations. iteration 38: trace = 6.797753758086779 (0.0202377% change) linmin: converged after 3 iterations. iteration 39: trace = 6.797626620366234 (0.00187031% change) large trace change predicted (0.0096437%) linmin: converged after 4 iterations. iteration 40: trace = 6.796985860133845 (0.00942668% change) linmin: converged after 3 iterations. iteration 41: trace = 6.796346977919242 (0.00939993% change) linmin: converged after 3 iterations. iteration 42: trace = 6.796284310238764 (0.000922083% change) large trace change predicted (0.00629687%) linmin: converged after 4 iterations. iteration 43: trace = 6.79586753547404 (0.00613258% change) linmin: converged after 4 iterations. iteration 44: trace = 6.795406399081847 (0.00678577% change) linmin: converged after 3 iterations. iteration 45: trace = 6.795367590543146 (0.000571101% change) large trace change predicted (0.00284231%) linmin: converged after 4 iterations. iteration 46: trace = 6.795177122079922 (0.00280296% change) linmin: converged after 3 iterations. iteration 47: trace = 6.794940920007555 (0.00347609% change) linmin: converged after 3 iterations. iteration 48: trace = 6.794907137572094 (0.000497172% change) large trace change predicted (0.00433785%) linmin: converged after 4 iterations. iteration 49: trace = 6.794615934362422 (0.0042857% change) linmin: converged after 3 iterations. iteration 50: trace = 6.794255735051849 (0.00530139% change) linmin: converged after 5 iterations. iteration 51: trace = 6.794217401763936 (0.000564203% change) large trace change predicted (0.00335306%) linmin: converged after 4 iterations. iteration 52: trace = 6.793991213313937 (0.00332919% change) linmin: converged after 4 iterations. iteration 53: trace = 6.793728117339382 (0.00387256% change) linmin: converged after 4 iterations. iteration 54: trace = 6.793694259081174 (0.000498376% change) large trace change predicted (0.00365899%) linmin: converged after 4 iterations. iteration 55: trace = 6.793446263052462 (0.00365045% change) linmin: converged after 4 iterations. iteration 56: trace = 6.793196853596192 (0.00367139% change) linmin: converged after 3 iterations. iteration 57: trace = 6.793167323895753 (0.000434696% change) large trace change predicted (0.00302394%) linmin: converged after 10 iterations. iteration 58: trace = 6.792962143072923 (0.00302045% change) linmin: converged after 4 iterations. iteration 59: trace = 6.792775384990048 (0.00274933% change) linmin: converged after 3 iterations. iteration 60: trace = 6.792756987326691 (0.000270842% change) large trace change predicted (0.00165713%) linmin: converged after 4 iterations. iteration 61: trace = 6.792644650610223 (0.00165379% change) linmin: converged after 3 iterations. iteration 62: trace = 6.792550297390947 (0.00138906% change) linmin: converged after 4 iterations. iteration 63: trace = 6.792537664820014 (0.000185977% change) large trace change predicted (0.00160153%) linmin: converged after 4 iterations. iteration 64: trace = 6.792429262685819 (0.00159591% change) linmin: converged after 3 iterations. iteration 65: trace = 6.792340578232512 (0.00130565% change) linmin: converged after 4 iterations. iteration 66: trace = 6.792331552017195 (0.000132888% change) large trace change predicted (0.000841299%) linmin: converged after 4 iterations. iteration 67: trace = 6.792274567195951 (0.000838962% change) linmin: converged after 3 iterations. iteration 68: trace = 6.792237439770127 (0.000546614% change) linmin: converged after 4 iterations. iteration 69: trace = 6.79223260978665 (7.11104e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.792228297655388 (6.34862e-05% change) large trace change predicted (0.00110166%) linmin: converged after 4 iterations. iteration 71: trace = 6.792153695267506 (0.00109836% change) linmin: converged after 6 iterations. iteration 72: trace = 6.792149581450575 (6.05672e-05% change) large trace change predicted (0.000708831%) linmin: converged after 4 iterations. iteration 73: trace = 6.792101528707402 (0.000707477% change) linmin: converged after 4 iterations. iteration 74: trace = 6.792099860237837 (2.45649e-05% change) large trace change predicted (0.000618981%) linmin: converged after 4 iterations. iteration 75: trace = 6.79205787990562 (0.000618078% change) linmin: converged after 4 iterations. iteration 76: trace = 6.792056168827534 (2.51923e-05% change) large trace change predicted (0.000403212%) linmin: converged after 3 iterations. iteration 77: trace = 6.792028766644234 (0.000403445% change) linmin: converged after 3 iterations. iteration 78: trace = 6.792026998181269 (2.60373e-05% change) large trace change predicted (0.000260644%) linmin: converged after 3 iterations. iteration 79: trace = 6.792009274547162 (0.000260948% change) linmin: converged after 3 iterations. iteration 80: trace = 6.79200845159906 (1.21164e-05% change) large trace change predicted (0.000159635%) linmin: converged after 3 iterations. iteration 81: trace = 6.791997598022605 (0.000159799% change) linmin: converged after 3 iterations. iteration 82: trace = 6.791996904947478 (1.02043e-05% change) large trace change predicted (8.62325e-05%) linmin: converged after 3 iterations. iteration 83: trace = 6.791991045301935 (8.62728e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 6.791990706155061 (4.99334e-06% change) large trace change predicted (6.48367e-05%) linmin: converged after 4 iterations. iteration 85: trace = 6.791986302260665 (6.48395e-05% change) linmin: converged after 5 iterations. iteration 86: trace = 6.791986004162207 (4.38897e-06% change) large trace change predicted (5.18509e-05%) linmin: converged after 4 iterations. iteration 87: trace = 6.791982481881336 (5.18594e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.79198179276332 (1.01461e-05% change) large trace change predicted (5.89483e-05%) linmin: converged after 4 iterations. iteration 89: trace = 6.791977794316667 (5.88701e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 6.791976820443474 (1.43386e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 6.791975615140822 (1.7746e-05% change) linmin: converged after 3 iterations. iteration 92: trace = 6.791973900423805 (2.52462e-05% change) linmin: converged after 7 iterations. iteration 93: trace = 6.791973335488525 (8.31769e-06% change) large trace change predicted (1.69316e-05%) linmin: converged after 12 iterations. iteration 94: trace = 6.791972185590867 (1.69302e-05% change) linmin: converged after 3 iterations. iteration 95: trace = 6.79197155135575 (9.33801e-06% change) linmin: converged after 5 iterations. iteration 96: trace = 6.791970944542422 (8.93427e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.791970211866635 (1.07874e-05% change) linmin: converged after 3 iterations. iteration 98: trace = 6.791969818862496 (5.78631e-06% change) linmin: converged after 3 iterations. iteration 99: trace = 6.791969262211649 (8.19572e-06% change) linmin: converged after 3 iterations. iteration 100: trace = 6.791968708602202 (8.15094e-06% change) linmin: converged after 5 iterations. iteration 101: trace = 6.791968653064911 (8.17691e-07% change) large trace change predicted (5.37706e-06%) linmin: converged after 2 iterations. iteration 102: trace = 6.791968287849869 (5.37716e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.791968277463236 (1.52925e-07% change) large trace change predicted (2.60221e-06%) linmin: converged after 2 iterations. iteration 104: trace = 6.791968100721677 (2.60221e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.791968092878765 (1.15473e-07% change) large trace change predicted (2.0587e-06%) linmin: converged after 3 iterations. iteration 106: trace = 6.791967953051572 (2.05871e-06% change) linmin: converged after 3 iterations. iteration 107: trace = 6.791967948024034 (7.40218e-08% change) large trace change predicted (1.46291e-06%) linmin: converged after 8 iterations. iteration 108: trace = 6.791967848660353 (1.46296e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.791967845150555 (5.16757e-08% change) large trace change predicted (1.32858e-06%) linmin: converged after 3 iterations. iteration 110: trace = 6.791967754913359 (1.32859e-06% change) linmin: converged after 21 iterations. iteration 111: trace = 6.791967748472299 (9.48335e-08% change) large trace change predicted (1.1718e-06%) linmin: converged after 5 iterations. iteration 112: trace = 6.791967668877026 (1.1719e-06% change) linmin: converged after 5 iterations. iteration 113: trace = 6.79196766554222 (4.90993e-08% change) large trace change predicted (7.81653e-07%) linmin: converged after 2 iterations. iteration 114: trace = 6.791967612450451 (7.81685e-07% change) linmin: converged after 24 iterations. iteration 115: trace = 6.791967610959208 (2.1956e-08% change) large trace change predicted (2.94444e-07%) linmin: converged after 3 iterations. iteration 116: trace = 6.791967590960216 (2.94451e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.791967587005427 (5.82274e-08% change) large trace change predicted (2.45919e-07%) linmin: converged after 30 iterations. iteration 118: trace = 6.791967570302307 (2.45925e-07% change) linmin: converged after 4 iterations. iteration 119: trace = 6.79196756206063 (1.21344e-07% change) linmin: converged after 5 iterations. iteration 120: trace = 6.791967546140414 (2.34398e-07% change) linmin: converged after 18 iterations. iteration 121: trace = 6.791967543171825 (4.37073e-08% change) large trace change predicted (2.56507e-07%) linmin: converged after 16 iterations. iteration 122: trace = 6.791967525749222 (2.56518e-07% change) linmin: converged after 8 iterations. iteration 123: trace = 6.79196752451914 (1.81108e-08% change) large trace change predicted (6.60925e-08%) linmin: converged after 15 iterations. iteration 124: trace = 6.79196752003006 (6.6094e-08% change) linmin: converged after 5 iterations. iteration 125: trace = 6.791967517036195 (4.40795e-08% change) linmin: converged after 19 iterations. iteration 126: trace = 6.791967516053871 (1.4463e-08% change) large trace change predicted (4.7355e-08%) linmin: converged after 7 iterations. iteration 127: trace = 6.79196751283756 (4.73546e-08% change) linmin: converged after 6 iterations. iteration 128: trace = 6.791967512591317 (3.6255e-09% change) large trace change predicted (4.03429e-08%) linmin: converged after 26 iterations. iteration 129: trace = 6.791967509851213 (4.03433e-08% change) linmin: converged after 27 iterations. iteration 130: trace = 6.791967509713659 (2.02524e-09% change) large trace change predicted (5.30423e-08%) linmin: converged after 9 iterations. iteration 131: trace = 6.791967506110998 (5.3043e-08% change) linmin: converged after 4 iterations. iteration 132: trace = 6.791967505801535 (4.5563e-09% change) large trace change predicted (5.32642e-08%) linmin: converged after 7 iterations. iteration 133: trace = 6.791967502183798 (5.32649e-08% change) linmin: converged after 6 iterations. iteration 134: trace = 6.79196750191726 (3.92431e-09% change) large trace change predicted (2.31904e-08%) linmin: converged after 7 iterations. iteration 135: trace = 6.79196750034217 (2.31905e-08% change) linmin: converged after 6 iterations. iteration 136: trace = 6.791967500260601 (1.20097e-09% change) large trace change predicted (1.46637e-08%) linmin: converged after 3 iterations. iteration 137: trace = 6.791967499264651 (1.46636e-08% change) linmin: converged after 5 iterations. iteration 138: trace = 6.791967499226701 (5.58736e-10% change) large trace change predicted (1.25371e-08%) linmin: converged after 4 iterations. iteration 139: trace = 6.791967498375169 (1.25373e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 140: trace = 6.791967498292051 (1.22378e-09% change) large trace change predicted (2.54594e-09%) linmin: converged after 6 iterations. iteration 141: trace = 6.791967498119134 (2.5459e-09% change) linmin: converged after 26 iterations. iteration 142: trace = 6.791967497955175 (2.41401e-09% change) linmin: converged after 27 iterations. iteration 143: trace = 6.791967497875718 (1.16987e-09% change) large trace change predicted (3.67353e-09%) linmin: converged after 7 iterations. iteration 144: trace = 6.791967497626207 (3.67363e-09% change) linmin: converged after 6 iterations. iteration 145: trace = 6.791967497592159 (5.0129e-10% change) large trace change predicted (6.23283e-09%) linmin: converged after 20 iterations. iteration 146: trace = 6.791967497168824 (6.23288e-09% change) linmin: converged after 4 iterations. iteration 147: trace = 6.791967497130071 (5.70571e-10% change) large trace change predicted (4.56836e-09%) linmin: converged after 19 iterations. iteration 148: trace = 6.791967496819786 (4.56841e-09% change) linmin: converged after 6 iterations. iteration 149: trace = 6.791967496790313 (4.33944e-10% change) large trace change predicted (2.16893e-09%) linmin: converged after 22 iterations. iteration 150: trace = 6.791967496643008 (2.1688e-09% change) linmin: converged after 4 iterations. iteration 151: trace = 6.79196749651947 (1.81889e-09% change) linmin: converged after 6 iterations. iteration 152: trace = 6.791967496513665 (8.54575e-11% change) Finished solving for bands 1 to 8 after 152 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0813996, 0.654814, 0.784954, 0.787051, 0.973107, 1.147, 1.15475, 1.23489 elapsed time for k point: 1.1598594188690186 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.779233704149505 (0.029341% change) large trace change predicted (0.119594%) linmin: converged after 4 iterations. iteration 2: trace = 6.77122872818564 (0.118151% change) linmin: converged after 4 iterations. iteration 3: trace = 6.76788727287084 (0.04936% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76677160790444 (0.016486% change) linmin: converged after 4 iterations. iteration 5: trace = 6.76553524136044 (0.0182728% change) linmin: converged after 4 iterations. iteration 6: trace = 6.765292028812663 (0.00359494% change) large trace change predicted (0.0160508%) linmin: converged after 4 iterations. iteration 7: trace = 6.764215362151291 (0.0159158% change) linmin: converged after 4 iterations. iteration 8: trace = 6.7640744078539 (0.00208385% change) large trace change predicted (0.00881556%) linmin: converged after 3 iterations. iteration 9: trace = 6.763478317595627 (0.00881298% change) linmin: converged after 4 iterations. iteration 10: trace = 6.763112350468273 (0.00541108% change) linmin: converged after 3 iterations. iteration 11: trace = 6.762840550271752 (0.00401894% change) linmin: converged after 3 iterations. iteration 12: trace = 6.762589674807687 (0.00370969% change) linmin: converged after 3 iterations. iteration 13: trace = 6.762500230376306 (0.00132264% change) large trace change predicted (0.00532386%) linmin: converged after 3 iterations. iteration 14: trace = 6.762138330078653 (0.00535172% change) linmin: converged after 3 iterations. iteration 15: trace = 6.762074172755888 (0.000948777% change) large trace change predicted (0.00413001%) linmin: converged after 3 iterations. iteration 16: trace = 6.761792961235461 (0.00415874% change) linmin: converged after 3 iterations. iteration 17: trace = 6.761637719094955 (0.0022959% change) linmin: converged after 3 iterations. iteration 18: trace = 6.761443529734488 (0.00287197% change) linmin: converged after 3 iterations. iteration 19: trace = 6.76135434542317 (0.00131902% change) linmin: converged after 5 iterations. iteration 20: trace = 6.761311766874297 (0.000629736% change) linmin: converged after 3 iterations. iteration 21: trace = 6.761229363792483 (0.00121875% change) linmin: converged after 5 iterations. iteration 22: trace = 6.761215170610098 (0.00020992% change) large trace change predicted (0.00157727%) linmin: converged after 4 iterations. iteration 23: trace = 6.761108563625406 (0.00157676% change) linmin: converged after 5 iterations. iteration 24: trace = 6.761092201397894 (0.000242005% change) large trace change predicted (0.00138267%) linmin: converged after 4 iterations. iteration 25: trace = 6.760998715872192 (0.00138271% change) linmin: converged after 4 iterations. iteration 26: trace = 6.760981371877431 (0.00025653% change) large trace change predicted (0.000658079%) linmin: converged after 3 iterations. iteration 27: trace = 6.760936824920137 (0.000658885% change) linmin: converged after 4 iterations. iteration 28: trace = 6.760923447438236 (0.000197865% change) linmin: converged after 3 iterations. iteration 29: trace = 6.760910147592869 (0.000196717% change) linmin: converged after 3 iterations. iteration 30: trace = 6.760890311372713 (0.000293396% change) linmin: converged after 3 iterations. iteration 31: trace = 6.760887282168232 (4.48048e-05% change) large trace change predicted (0.000191206%) linmin: converged after 3 iterations. iteration 32: trace = 6.760874346615541 (0.000191329% change) linmin: converged after 14 iterations. iteration 33: trace = 6.760867978531046 (9.41903e-05% change) linmin: converged after 6 iterations. iteration 34: trace = 6.760856625784806 (0.000167919% change) linmin: converged after 3 iterations. iteration 35: trace = 6.760852346347988 (6.32973e-05% change) large trace change predicted (0.00015525%) linmin: converged after 10 iterations. iteration 36: trace = 6.760841857753364 (0.000155137% change) linmin: converged after 3 iterations. iteration 37: trace = 6.76083824537612 (5.34309e-05% change) linmin: converged after 5 iterations. iteration 38: trace = 6.760832929740303 (7.86239e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.760829446462945 (5.15214e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.760828407253998 (1.5371e-05% change) large trace change predicted (5.882e-05%) linmin: converged after 4 iterations. iteration 41: trace = 6.760824431226565 (5.88098e-05% change) linmin: converged after 4 iterations. iteration 42: trace = 6.760823706351393 (1.07217e-05% change) large trace change predicted (5.521e-05%) linmin: converged after 5 iterations. iteration 43: trace = 6.760819975268813 (5.51868e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.760818933583168 (1.54077e-05% change) linmin: converged after 4 iterations. iteration 45: trace = 6.760817397451483 (2.27211e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 6.760816506038232 (1.3185e-05% change) linmin: converged after 4 iterations. iteration 47: trace = 6.760816128060983 (5.5907e-06% change) large trace change predicted (1.42013e-05%) linmin: converged after 3 iterations. iteration 48: trace = 6.76081516794176 (1.42012e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.760815037114783 (1.93508e-06% change) large trace change predicted (1.2274e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.760814207181001 (1.22756e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.760814122635201 (1.25053e-06% change) large trace change predicted (7.52087e-06%) linmin: converged after 5 iterations. iteration 52: trace = 6.760813614112545 (7.52162e-06% change) linmin: converged after 5 iterations. iteration 53: trace = 6.760813438657451 (2.59518e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.760813112228708 (4.82825e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.760812964855113 (2.17982e-06% change) linmin: converged after 3 iterations. iteration 56: trace = 6.760812805891664 (2.35125e-06% change) linmin: converged after 2 iterations. iteration 57: trace = 6.760812667531352 (2.0465e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.76081262757927 (5.90936e-07% change) large trace change predicted (1.7818e-06%) linmin: converged after 31 iterations. iteration 59: trace = 6.760812507117609 (1.78176e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.760812489141085 (2.65893e-07% change) large trace change predicted (1.67945e-06%) linmin: converged after 3 iterations. iteration 61: trace = 6.760812375599103 (1.67941e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.760812364017938 (1.71298e-07% change) large trace change predicted (7.34453e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.760812314362155 (7.34465e-07% change) linmin: converged after 3 iterations. iteration 64: trace = 6.760812300203789 (2.09418e-07% change) large trace change predicted (4.297e-07%) linmin: converged after 4 iterations. iteration 65: trace = 6.760812271152631 (4.29699e-07% change) linmin: converged after 2 iterations. iteration 66: trace = 6.760812246336019 (3.67066e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.76081223489381 (1.69243e-07% change) large trace change predicted (3.52972e-07%) linmin: converged after 2 iterations. iteration 68: trace = 6.760812211029217 (3.52984e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.760812207709524 (4.9102e-08% change) resetting CG direction... linmin: converged after 26 iterations. iteration 70: trace = 6.760812205115937 (3.83621e-08% change) large trace change predicted (1.10414e-07%) linmin: converged after 13 iterations. iteration 71: trace = 6.76081219765096 (1.10415e-07% change) linmin: converged after 5 iterations. iteration 72: trace = 6.760812193099664 (6.73188e-08% change) linmin: converged after 10 iterations. iteration 73: trace = 6.760812189419833 (5.44288e-08% change) linmin: converged after 19 iterations. iteration 74: trace = 6.760812183684703 (8.4829e-08% change) linmin: converged after 19 iterations. iteration 75: trace = 6.760812181798141 (2.79044e-08% change) large trace change predicted (7.9846e-08%) linmin: converged after 3 iterations. iteration 76: trace = 6.760812176399958 (7.98452e-08% change) linmin: converged after 22 iterations. iteration 77: trace = 6.760812174751578 (2.43814e-08% change) large trace change predicted (1.12482e-07%) linmin: converged after 7 iterations. iteration 78: trace = 6.760812167146861 (1.12482e-07% change) linmin: converged after 6 iterations. iteration 79: trace = 6.760812165135612 (2.97486e-08% change) large trace change predicted (6.68494e-08%) linmin: converged after 4 iterations. iteration 80: trace = 6.760812160616077 (6.6849e-08% change) linmin: converged after 7 iterations. iteration 81: trace = 6.760812157149175 (5.12794e-08% change) linmin: converged after 12 iterations. iteration 82: trace = 6.760812155153886 (2.95126e-08% change) linmin: converged after 4 iterations. iteration 83: trace = 6.760812151447763 (5.48177e-08% change) linmin: converged after 4 iterations. iteration 84: trace = 6.760812149596605 (2.73807e-08% change) linmin: converged after 32 iterations. iteration 85: trace = 6.760812149144228 (6.69116e-09% change) large trace change predicted (1.60166e-08%) linmin: converged after 4 iterations. iteration 86: trace = 6.76081214806138 (1.60165e-08% change) linmin: converged after 6 iterations. iteration 87: trace = 6.760812147844664 (3.20547e-09% change) large trace change predicted (1.30127e-08%) linmin: converged after 8 iterations. iteration 88: trace = 6.76081214696491 (1.30125e-08% change) linmin: converged after 7 iterations. iteration 89: trace = 6.760812146818285 (2.16875e-09% change) large trace change predicted (1.02578e-08%) linmin: converged after 4 iterations. iteration 90: trace = 6.760812146124769 (1.02579e-08% change) linmin: converged after 14 iterations. iteration 91: trace = 6.760812145778652 (5.11946e-09% change) linmin: converged after 6 iterations. iteration 92: trace = 6.760812145286503 (7.27943e-09% change) linmin: converged after 18 iterations. iteration 93: trace = 6.760812144857756 (6.34166e-09% change) linmin: converged after 5 iterations. iteration 94: trace = 6.760812144781973 (1.12091e-09% change) large trace change predicted (3.99531e-09%) linmin: converged after 4 iterations. iteration 95: trace = 6.76081214451185 (3.99542e-09% change) linmin: converged after 20 iterations. iteration 96: trace = 6.760812144391321 (1.78276e-09% change) linmin: converged after 15 iterations. iteration 97: trace = 6.760812144325781 (9.69404e-10% change) large trace change predicted (2.03564e-09%) linmin: converged after 21 iterations. iteration 98: trace = 6.760812144188145 (2.03579e-09% change) linmin: converged after 9 iterations. iteration 99: trace = 6.760812144171469 (2.46663e-10% change) large trace change predicted (1.70611e-09%) linmin: converged after 6 iterations. iteration 100: trace = 6.76081214405612 (1.70615e-09% change) linmin: converged after 3 iterations. iteration 101: trace = 6.760812144045055 (1.6365e-10% change) large trace change predicted (1.05652e-09%) linmin: converged after 24 iterations. iteration 102: trace = 6.76081214397362 (1.05661e-09% change) linmin: converged after 15 iterations. iteration 103: trace = 6.760812143935601 (5.62349e-10% change) linmin: converged after 4 iterations. iteration 104: trace = 6.760812143927473 (1.20218e-10% change) large trace change predicted (6.25294e-10%) linmin: converged after 7 iterations. iteration 105: trace = 6.760812143885199 (6.25276e-10% change) linmin: converged after 4 iterations. iteration 106: trace = 6.760812143880038 (7.634e-11% change) Finished solving for bands 1 to 8 after 106 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.161634, 0.615231, 0.789764, 0.798457, 0.982219, 1.11674, 1.12242, 1.27406 elapsed time for k point: 0.7608199119567871 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.812819628661698 (0.0683397% change) linmin: converged after 3 iterations. iteration 2: trace = 6.809521839523517 (0.0484174% change) linmin: converged after 4 iterations. iteration 3: trace = 6.806878732572187 (0.0388224% change) linmin: converged after 3 iterations. iteration 4: trace = 6.806531561470045 (0.00510043% change) linmin: converged after 4 iterations. iteration 5: trace = 6.805858812206997 (0.00988437% change) linmin: converged after 3 iterations. iteration 6: trace = 6.805278685201517 (0.0085243% change) linmin: converged after 4 iterations. iteration 7: trace = 6.805018736097988 (0.00381989% change) large trace change predicted (0.00764423%) linmin: converged after 4 iterations. iteration 8: trace = 6.804499759913973 (0.00762666% change) linmin: converged after 4 iterations. iteration 9: trace = 6.804166052150458 (0.00490434% change) linmin: converged after 3 iterations. iteration 10: trace = 6.803799208029116 (0.00539161% change) linmin: converged after 3 iterations. iteration 11: trace = 6.803510143991208 (0.00424866% change) linmin: converged after 4 iterations. iteration 12: trace = 6.803404288453464 (0.00155591% change) large trace change predicted (0.00417121%) linmin: converged after 3 iterations. iteration 13: trace = 6.803119569090784 (0.00418504% change) linmin: converged after 3 iterations. iteration 14: trace = 6.802867680929271 (0.00370261% change) linmin: converged after 3 iterations. iteration 15: trace = 6.802805669214712 (0.000911557% change) large trace change predicted (0.00372648%) linmin: converged after 3 iterations. iteration 16: trace = 6.802551006257156 (0.00374357% change) linmin: converged after 3 iterations. iteration 17: trace = 6.802508919730908 (0.000618689% change) large trace change predicted (0.00153183%) linmin: converged after 3 iterations. iteration 18: trace = 6.802404656420902 (0.00153273% change) linmin: converged after 3 iterations. iteration 19: trace = 6.802277520532822 (0.001869% change) linmin: converged after 5 iterations. iteration 20: trace = 6.802247414155069 (0.000442594% change) large trace change predicted (0.001287%) linmin: converged after 3 iterations. iteration 21: trace = 6.802159763861424 (0.00128856% change) linmin: converged after 3 iterations. iteration 22: trace = 6.80209711638325 (0.000920998% change) linmin: converged after 3 iterations. iteration 23: trace = 6.802077237360788 (0.000292249% change) large trace change predicted (0.000723376%) linmin: converged after 4 iterations. iteration 24: trace = 6.802028031576383 (0.000723396% change) linmin: converged after 6 iterations. iteration 25: trace = 6.802006288669485 (0.000319654% change) linmin: converged after 3 iterations. iteration 26: trace = 6.801991481607076 (0.000217687% change) linmin: converged after 5 iterations. iteration 27: trace = 6.801969367927593 (0.000325106% change) linmin: converged after 3 iterations. iteration 28: trace = 6.801957903045565 (0.000168553% change) linmin: converged after 3 iterations. iteration 29: trace = 6.801951813831908 (8.95215e-05% change) large trace change predicted (0.000209749%) linmin: converged after 3 iterations. iteration 30: trace = 6.801937548635867 (0.000209722% change) linmin: converged after 5 iterations. iteration 31: trace = 6.801934525942378 (4.44387e-05% change) large trace change predicted (0.000222054%) linmin: converged after 5 iterations. iteration 32: trace = 6.801919425329486 (0.000222005% change) linmin: converged after 4 iterations. iteration 33: trace = 6.801915441680219 (5.85666e-05% change) large trace change predicted (0.0001179%) linmin: converged after 4 iterations. iteration 34: trace = 6.801907423888882 (0.000117876% change) linmin: converged after 3 iterations. iteration 35: trace = 6.801902761556573 (6.85445e-05% change) linmin: converged after 4 iterations. iteration 36: trace = 6.801901494015955 (1.86351e-05% change) large trace change predicted (5.41487e-05%) linmin: converged after 5 iterations. iteration 37: trace = 6.801897811034239 (5.41464e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.801895866748854 (2.85845e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.801893985482835 (2.7658e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.80189147262107 (3.69436e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.801890700845299 (1.13465e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.801889235431657 (2.15442e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.801888224442996 (1.48634e-05% change) linmin: converged after 20 iterations. iteration 44: trace = 6.801887980840492 (3.5814e-06% change) large trace change predicted (7.42495e-06%) linmin: converged after 3 iterations. iteration 45: trace = 6.801887475818182 (7.42474e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.801887185178447 (4.27293e-06% change) linmin: converged after 4 iterations. iteration 47: trace = 6.801886748234615 (6.42386e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.801885976399346 (1.13474e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 6.801885695022007 (4.13675e-06% change) linmin: converged after 7 iterations. iteration 50: trace = 6.801885358625245 (4.94564e-06% change) linmin: converged after 4 iterations. iteration 51: trace = 6.801885217423139 (2.07593e-06% change) linmin: converged after 17 iterations. iteration 52: trace = 6.801885140510589 (1.13075e-06% change) linmin: converged after 23 iterations. iteration 53: trace = 6.8018850178674 (1.80308e-06% change) linmin: converged after 3 iterations. iteration 54: trace = 6.801884972661144 (6.64614e-07% change) large trace change predicted (1.67237e-06%) linmin: converged after 2 iterations. iteration 55: trace = 6.801884858907663 (1.67238e-06% change) linmin: converged after 5 iterations. iteration 56: trace = 6.801884766735803 (1.35509e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 6.801884743365361 (3.43588e-07% change) large trace change predicted (7.51348e-07%) linmin: converged after 2 iterations. iteration 58: trace = 6.801884692259104 (7.51354e-07% change) linmin: converged after 7 iterations. iteration 59: trace = 6.801884672406457 (2.9187e-07% change) linmin: converged after 6 iterations. iteration 60: trace = 6.801884645652149 (3.93337e-07% change) linmin: converged after 3 iterations. iteration 61: trace = 6.801884622534045 (3.39878e-07% change) linmin: converged after 15 iterations. iteration 62: trace = 6.801884613615423 (1.3112e-07% change) large trace change predicted (2.88122e-07%) linmin: converged after 3 iterations. iteration 63: trace = 6.801884594016905 (2.88134e-07% change) linmin: converged after 8 iterations. iteration 64: trace = 6.801884584516095 (1.39679e-07% change) linmin: converged after 3 iterations. iteration 65: trace = 6.801884576469059 (1.18306e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.80188456659482 (1.45169e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.801884562881307 (5.45954e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.801884555493325 (1.08617e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.801884549058733 (9.46001e-08% change) resetting CG direction... linmin: converged after 15 iterations. iteration 70: trace = 6.801884547554034 (2.21218e-08% change) linmin: converged after 4 iterations. iteration 71: trace = 6.801884545383357 (3.19129e-08% change) linmin: converged after 8 iterations. iteration 72: trace = 6.801884544195199 (1.74681e-08% change) linmin: converged after 6 iterations. iteration 73: trace = 6.80188454315787 (1.52506e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.801884541809432 (1.98245e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.801884541427446 (5.61588e-09% change) large trace change predicted (1.89351e-08%) linmin: converged after 4 iterations. iteration 76: trace = 6.801884540139519 (1.89349e-08% change) linmin: converged after 5 iterations. iteration 77: trace = 6.801884539692212 (6.57622e-09% change) linmin: converged after 7 iterations. iteration 78: trace = 6.801884539101566 (8.68356e-09% change) linmin: converged after 9 iterations. iteration 79: trace = 6.801884538450174 (9.57664e-09% change) linmin: converged after 3 iterations. iteration 80: trace = 6.801884538253588 (2.89018e-09% change) large trace change predicted (1.02646e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.8018845375554 (1.02646e-08% change) linmin: converged after 22 iterations. iteration 82: trace = 6.801884537150822 (5.94804e-09% change) linmin: converged after 5 iterations. iteration 83: trace = 6.801884536946329 (3.00641e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 6.801884536587771 (5.27146e-09% change) linmin: converged after 23 iterations. iteration 85: trace = 6.801884536358836 (3.36576e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.801884536234699 (1.82504e-09% change) linmin: converged after 14 iterations. iteration 87: trace = 6.801884536094423 (2.0623e-09% change) linmin: converged after 21 iterations. iteration 88: trace = 6.80188453605223 (6.20325e-10% change) large trace change predicted (1.76175e-09%) linmin: converged after 16 iterations. iteration 89: trace = 6.801884535932403 (1.76167e-09% change) linmin: converged after 3 iterations. iteration 90: trace = 6.801884535896058 (5.34339e-10% change) large trace change predicted (1.18821e-09%) linmin: converged after 6 iterations. iteration 91: trace = 6.801884535815229 (1.18833e-09% change) linmin: converged after 4 iterations. iteration 92: trace = 6.801884535775458 (5.84703e-10% change) linmin: converged after 16 iterations. iteration 93: trace = 6.80188453576309 (1.8183e-10% change) large trace change predicted (4.52487e-10%) linmin: converged after 3 iterations. iteration 94: trace = 6.801884535732312 (4.52493e-10% change) linmin: converged after 3 iterations. iteration 95: trace = 6.801884535718283 (2.06248e-10% change) linmin: converged after 2 iterations. iteration 96: trace = 6.80188453570752 (1.58235e-10% change) linmin: converged after 4 iterations. iteration 97: trace = 6.80188453569156 (2.34649e-10% change) linmin: converged after 10 iterations. iteration 98: trace = 6.801884535683443 (1.19335e-10% change) linmin: converged after 7 iterations. iteration 99: trace = 6.801884535667818 (2.29713e-10% change) linmin: converged after 12 iterations. iteration 100: trace = 6.801884535652636 (2.23197e-10% change) linmin: converged after 5 iterations. iteration 101: trace = 6.801884535649821 (4.13933e-11% change) Finished solving for bands 1 to 8 after 101 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.238847, 0.561888, 0.796082, 0.816438, 0.967926, 1.09564, 1.12526, 1.31351 elapsed time for k point: 0.9053771495819092 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925882038649622 (0.0869782% change) linmin: converged after 3 iterations. iteration 2: trace = 6.922922600920973 (0.0427393% change) linmin: converged after 4 iterations. iteration 3: trace = 6.920648510496537 (0.0328541% change) linmin: converged after 3 iterations. iteration 4: trace = 6.919688753726099 (0.013869% change) linmin: converged after 4 iterations. iteration 5: trace = 6.919278633938682 (0.00592703% change) large trace change predicted (0.014567%) linmin: converged after 4 iterations. iteration 6: trace = 6.918274802967817 (0.0145088% change) linmin: converged after 4 iterations. iteration 7: trace = 6.917573100309901 (0.0101433% change) linmin: converged after 3 iterations. iteration 8: trace = 6.91717052878642 (0.00581972% change) linmin: converged after 4 iterations. iteration 9: trace = 6.916380857969879 (0.0114167% change) linmin: converged after 3 iterations. iteration 10: trace = 6.915938511134318 (0.00639584% change) linmin: converged after 4 iterations. iteration 11: trace = 6.915627903828851 (0.00449128% change) linmin: converged after 3 iterations. iteration 12: trace = 6.915057595408163 (0.008247% change) linmin: converged after 3 iterations. iteration 13: trace = 6.914570533658709 (0.00704374% change) linmin: converged after 4 iterations. iteration 14: trace = 6.914423410976549 (0.00212774% change) large trace change predicted (0.00433686%) linmin: converged after 3 iterations. iteration 15: trace = 6.914122172538979 (0.00435676% change) linmin: converged after 3 iterations. iteration 16: trace = 6.913960745971044 (0.00233476% change) linmin: converged after 3 iterations. iteration 17: trace = 6.913682738645422 (0.00402104% change) linmin: converged after 3 iterations. iteration 18: trace = 6.91356962437949 (0.00163611% change) linmin: converged after 3 iterations. iteration 19: trace = 6.913343496481604 (0.00327084% change) linmin: converged after 3 iterations. iteration 20: trace = 6.913262827542797 (0.00116687% change) linmin: converged after 5 iterations. iteration 21: trace = 6.913199855061523 (0.000910898% change) linmin: converged after 5 iterations. iteration 22: trace = 6.913142013102168 (0.000836692% change) linmin: converged after 5 iterations. iteration 23: trace = 6.913115926418768 (0.00037735% change) linmin: converged after 3 iterations. iteration 24: trace = 6.91309050341241 (0.000367751% change) linmin: converged after 5 iterations. iteration 25: trace = 6.913046686141634 (0.000633832% change) linmin: converged after 4 iterations. iteration 26: trace = 6.913020078791096 (0.000384887% change) linmin: converged after 4 iterations. iteration 27: trace = 6.913001671860747 (0.000266265% change) linmin: converged after 4 iterations. iteration 28: trace = 6.912976103550035 (0.000369859% change) linmin: converged after 3 iterations. iteration 29: trace = 6.912965350980596 (0.000155542% change) linmin: converged after 3 iterations. iteration 30: trace = 6.912958048248399 (0.000105638% change) linmin: converged after 3 iterations. iteration 31: trace = 6.912946398606992 (0.000168519% change) linmin: converged after 3 iterations. iteration 32: trace = 6.912938892000731 (0.000108588% change) linmin: converged after 4 iterations. iteration 33: trace = 6.912933382900912 (7.96926e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.912927765762557 (8.12555e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 6.912925419569552 (3.39392e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.912923360114467 (2.97914e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.912920250075139 (4.49888e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.912919169456714 (1.56319e-05% change) linmin: converged after 3 iterations. iteration 39: trace = 6.912917519066674 (2.3874e-05% change) linmin: converged after 3 iterations. iteration 40: trace = 6.912916315539269 (1.74098e-05% change) linmin: converged after 17 iterations. iteration 41: trace = 6.912915794332187 (7.53961e-06% change) linmin: converged after 4 iterations. iteration 42: trace = 6.912915207571654 (8.48789e-06% change) linmin: converged after 2 iterations. iteration 43: trace = 6.912914545833006 (9.5725e-06% change) linmin: converged after 2 iterations. iteration 44: trace = 6.912914247706847 (4.3126e-06% change) linmin: converged after 3 iterations. iteration 45: trace = 6.912913753212571 (7.1532e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.912913163886589 (8.525e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.912912853153032 (4.49497e-06% change) linmin: converged after 3 iterations. iteration 48: trace = 6.912912671740704 (2.62425e-06% change) linmin: converged after 11 iterations. iteration 49: trace = 6.912912518892522 (2.21105e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 6.912912394741083 (1.79594e-06% change) linmin: converged after 3 iterations. iteration 51: trace = 6.912912299273549 (1.381e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.912912139298289 (2.31415e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.912912089732205 (7.17007e-07% change) linmin: converged after 6 iterations. iteration 54: trace = 6.912911998991057 (1.31263e-06% change) linmin: converged after 13 iterations. iteration 55: trace = 6.912911935450525 (9.19157e-07% change) linmin: converged after 3 iterations. iteration 56: trace = 6.912911890746691 (6.46672e-07% change) linmin: converged after 7 iterations. iteration 57: trace = 6.912911840091572 (7.32761e-07% change) linmin: converged after 23 iterations. iteration 58: trace = 6.912911788980286 (7.3936e-07% change) linmin: converged after 13 iterations. iteration 59: trace = 6.912911777301217 (1.68946e-07% change) large trace change predicted (3.75959e-07%) linmin: converged after 4 iterations. iteration 60: trace = 6.912911751311498 (3.75959e-07% change) linmin: converged after 4 iterations. iteration 61: trace = 6.912911731156905 (2.9155e-07% change) linmin: converged after 3 iterations. iteration 62: trace = 6.912911716265699 (2.15411e-07% change) large trace change predicted (4.65098e-07%) linmin: converged after 5 iterations. iteration 63: trace = 6.912911684115905 (4.65069e-07% change) linmin: converged after 25 iterations. iteration 64: trace = 6.912911662399061 (3.14149e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 6.912911652296632 (1.46139e-07% change) linmin: converged after 8 iterations. iteration 66: trace = 6.912911642987268 (1.34666e-07% change) linmin: converged after 3 iterations. iteration 67: trace = 6.912911630407877 (1.8197e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 6.912911622204324 (1.1867e-07% change) large trace change predicted (3.31162e-07%) linmin: converged after 6 iterations. iteration 69: trace = 6.912911599310582 (3.31174e-07% change) resetting CG direction... linmin: converged after 2 iterations. iteration 70: trace = 6.91291158715795 (1.75796e-07% change) linmin: converged after 9 iterations. iteration 71: trace = 6.912911579317613 (1.13416e-07% change) linmin: converged after 21 iterations. iteration 72: trace = 6.912911566843272 (1.8045e-07% change) linmin: converged after 8 iterations. iteration 73: trace = 6.912911546531986 (2.93817e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.912911524245919 (3.22383e-07% change) large trace change predicted (3.42786e-06%) linmin: converged after 4 iterations. iteration 75: trace = 6.912911287072744 (3.43087e-06% change) near maximum in trace linmin: converged after 11 iterations. iteration 76: trace = 6.909888069531068 (0.0437425% change) linmin: converged after 9 iterations. iteration 77: trace = 6.909887784314146 (4.12766e-06% change) linmin: converged after 7 iterations. iteration 78: trace = 6.909887500338854 (4.10969e-06% change) linmin: converged after 14 iterations. iteration 79: trace = 6.909887217639132 (4.09123e-06% change) linmin: converged after 7 iterations. iteration 80: trace = 6.909886936250768 (4.07226e-06% change) linmin: converged after 8 iterations. iteration 81: trace = 6.909886656139765 (4.05377e-06% change) linmin: converged after 17 iterations. iteration 82: trace = 6.909886377358567 (4.03453e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.909886099873157 (4.01577e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.909885823729661 (3.99635e-06% change) linmin: converged after 8 iterations. iteration 85: trace = 6.909885548913243 (3.97715e-06% change) linmin: converged after 7 iterations. iteration 86: trace = 6.909885275421666 (3.95798e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.909885003270273 (3.93858e-06% change) linmin: converged after 7 iterations. iteration 88: trace = 6.909884732454676 (3.91925e-06% change) linmin: converged after 4 iterations. iteration 89: trace = 6.909884462957761 (3.90017e-06% change) linmin: converged after 4 iterations. iteration 90: trace = 6.909884194815677 (3.88056e-06% change) linmin: converged after 9 iterations. iteration 91: trace = 6.909883928009607 (3.86122e-06% change) linmin: converged after 7 iterations. iteration 92: trace = 6.909883662522455 (3.84214e-06% change) linmin: converged after 5 iterations. iteration 93: trace = 6.909883398382966 (3.82263e-06% change) linmin: converged after 5 iterations. iteration 94: trace = 6.909883135572693 (3.8034e-06% change) linmin: converged after 11 iterations. iteration 95: trace = 6.909882874088034 (3.78421e-06% change) linmin: converged after 9 iterations. iteration 96: trace = 6.909882613924315 (3.7651e-06% change) linmin: converged after 14 iterations. iteration 97: trace = 6.909882355073152 (3.7461e-06% change) linmin: converged after 12 iterations. iteration 98: trace = 6.909882097524109 (3.72726e-06% change) linmin: converged after 9 iterations. iteration 99: trace = 6.909881841295443 (3.70815e-06% change) linmin: converged after 11 iterations. iteration 100: trace = 6.909881586353091 (3.68953e-06% change) linmin: converged after 6 iterations. iteration 101: trace = 6.909881332717889 (3.67062e-06% change) linmin: converged after 14 iterations. iteration 102: trace = 6.9098810803694 (3.65199e-06% change) linmin: converged after 6 iterations. iteration 103: trace = 6.909880829294897 (3.63356e-06% change) linmin: converged after 4 iterations. iteration 104: trace = 6.909880579485906 (3.61524e-06% change) linmin: converged after 6 iterations. iteration 105: trace = 6.909880330953644 (3.59677e-06% change) linmin: converged after 5 iterations. iteration 106: trace = 6.909880083666328 (3.57875e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 6.909879837638996 (3.56052e-06% change) linmin: converged after 5 iterations. iteration 108: trace = 6.909879592851689 (3.54257e-06% change) linmin: converged after 9 iterations. iteration 109: trace = 6.909879349295867 (3.52475e-06% change) linmin: converged after 7 iterations. iteration 110: trace = 6.909879106952831 (3.5072e-06% change) linmin: converged after 5 iterations. iteration 111: trace = 6.909878865833756 (3.48948e-06% change) linmin: converged after 12 iterations. iteration 112: trace = 6.909878625919669 (3.47204e-06% change) linmin: converged after 6 iterations. iteration 113: trace = 6.909878387191959 (3.45488e-06% change) linmin: converged after 4 iterations. iteration 114: trace = 6.909878149651229 (3.4377e-06% change) linmin: converged after 8 iterations. iteration 115: trace = 6.909877913297339 (3.42052e-06% change) linmin: converged after 6 iterations. iteration 116: trace = 6.90987767810282 (3.40374e-06% change) linmin: converged after 5 iterations. iteration 117: trace = 6.909877444075966 (3.38685e-06% change) linmin: converged after 8 iterations. iteration 118: trace = 6.909877211198532 (3.37021e-06% change) linmin: converged after 6 iterations. iteration 119: trace = 6.909876979452967 (3.35383e-06% change) linmin: converged after 5 iterations. iteration 120: trace = 6.909876748846052 (3.33735e-06% change) linmin: converged after 6 iterations. iteration 121: trace = 6.90987651936019 (3.32113e-06% change) linmin: converged after 5 iterations. iteration 122: trace = 6.909876290978394 (3.30515e-06% change) linmin: converged after 14 iterations. iteration 123: trace = 6.909876063706172 (3.28909e-06% change) linmin: converged after 6 iterations. iteration 124: trace = 6.909875837526572 (3.27328e-06% change) linmin: converged after 4 iterations. iteration 125: trace = 6.909875612423232 (3.2577e-06% change) linmin: converged after 14 iterations. iteration 126: trace = 6.909875388400514 (3.24207e-06% change) linmin: converged after 14 iterations. iteration 127: trace = 6.909875165442156 (3.22666e-06% change) linmin: converged after 7 iterations. iteration 128: trace = 6.909874943538734 (3.2114e-06% change) linmin: converged after 5 iterations. iteration 129: trace = 6.90987472268094 (3.19626e-06% change) linmin: converged after 6 iterations. iteration 130: trace = 6.909874502859484 (3.18127e-06% change) linmin: converged after 6 iterations. iteration 131: trace = 6.909874284059315 (3.16649e-06% change) linmin: converged after 8 iterations. iteration 132: trace = 6.90987406627721 (3.15175e-06% change) linmin: converged after 7 iterations. iteration 133: trace = 6.909873849504065 (3.13715e-06% change) linmin: converged after 7 iterations. iteration 134: trace = 6.909873633736144 (3.1226e-06% change) linmin: converged after 6 iterations. iteration 135: trace = 6.909873418958933 (3.10827e-06% change) linmin: converged after 6 iterations. iteration 136: trace = 6.909873205158356 (3.09413e-06% change) linmin: converged after 6 iterations. iteration 137: trace = 6.909872992335758 (3.07998e-06% change) linmin: converged after 6 iterations. iteration 138: trace = 6.909872780477195 (3.06603e-06% change) linmin: converged after 8 iterations. iteration 139: trace = 6.909872569573944 (3.0522e-06% change) resetting CG direction... large trace change predicted (0.146065%) linmin: converged after 6 iterations. iteration 140: trace = 6.900112807874646 (0.141344% change) linmin: converged after 4 iterations. iteration 141: trace = 6.886754650031223 (0.193781% change) linmin: converged after 4 iterations. iteration 142: trace = 6.877135062572776 (0.13978% change) linmin: converged after 3 iterations. iteration 143: trace = 6.870506267082638 (0.0964354% change) linmin: converged after 4 iterations. iteration 144: trace = 6.860551169816624 (0.145001% change) linmin: converged after 4 iterations. iteration 145: trace = 6.850685274511307 (0.14391% change) linmin: converged after 4 iterations. iteration 146: trace = 6.843740497784712 (0.101425% change) large trace change predicted (0.309023%) linmin: converged after 5 iterations. iteration 147: trace = 6.823623760537448 (0.294376% change) linmin: converged after 4 iterations. iteration 148: trace = 6.812400398950951 (0.164613% change) linmin: converged after 4 iterations. iteration 149: trace = 6.804952571758172 (0.109387% change) linmin: converged after 4 iterations. iteration 150: trace = 6.792622572528646 (0.181356% change) linmin: converged after 3 iterations. iteration 151: trace = 6.786226468461249 (0.0942069% change) linmin: converged after 4 iterations. iteration 152: trace = 6.774034327979193 (0.179822% change) linmin: converged after 4 iterations. iteration 153: trace = 6.763597790162811 (0.154186% change) linmin: converged after 4 iterations. iteration 154: trace = 6.751468321352629 (0.179496% change) linmin: converged after 4 iterations. iteration 155: trace = 6.744733604502644 (0.0998017% change) linmin: converged after 4 iterations. iteration 156: trace = 6.736517955733518 (0.121883% change) linmin: converged after 4 iterations. iteration 157: trace = 6.730507893032328 (0.089256% change) linmin: converged after 4 iterations. iteration 158: trace = 6.725610070146183 (0.072797% change) linmin: converged after 3 iterations. iteration 159: trace = 6.720070429549343 (0.0824003% change) linmin: converged after 4 iterations. iteration 160: trace = 6.716398936957599 (0.0546497% change) linmin: converged after 4 iterations. iteration 161: trace = 6.711723245098755 (0.0696403% change) linmin: converged after 3 iterations. iteration 162: trace = 6.708465862307571 (0.0485445% change) linmin: converged after 3 iterations. iteration 163: trace = 6.705377631218511 (0.0460454% change) linmin: converged after 3 iterations. iteration 164: trace = 6.7019681115547 (0.0508605% change) linmin: converged after 14 iterations. iteration 165: trace = 6.699720408550249 (0.0335436% change) linmin: converged after 3 iterations. iteration 166: trace = 6.697586295582607 (0.0318588% change) linmin: converged after 3 iterations. iteration 167: trace = 6.695563917062481 (0.0302002% change) linmin: converged after 3 iterations. iteration 168: trace = 6.69318995521045 (0.035462% change) linmin: converged after 4 iterations. iteration 169: trace = 6.691847708888887 (0.0200559% change) linmin: converged after 3 iterations. iteration 170: trace = 6.689836878793695 (0.0300535% change) linmin: converged after 3 iterations. iteration 171: trace = 6.68897407054505 (0.0128981% change) linmin: converged after 3 iterations. iteration 172: trace = 6.687710436118384 (0.0188931% change) linmin: converged after 3 iterations. iteration 173: trace = 6.687077366461639 (0.00946661% change) linmin: converged after 3 iterations. iteration 174: trace = 6.686055406055767 (0.0152838% change) linmin: converged after 3 iterations. iteration 175: trace = 6.685450523046256 (0.00904734% change) linmin: converged after 3 iterations. iteration 176: trace = 6.684549996350713 (0.0134709% change) linmin: converged after 3 iterations. iteration 177: trace = 6.684090730238815 (0.0068708% change) linmin: converged after 3 iterations. iteration 178: trace = 6.683536768548096 (0.00828811% change) linmin: converged after 3 iterations. iteration 179: trace = 6.683209332057007 (0.00489927% change) linmin: converged after 3 iterations. iteration 180: trace = 6.682804628345735 (0.00605571% change) linmin: converged after 3 iterations. iteration 181: trace = 6.682500737701841 (0.00454746% change) linmin: converged after 6 iterations. iteration 182: trace = 6.682187984963646 (0.00468028% change) linmin: converged after 3 iterations. iteration 183: trace = 6.681941626589951 (0.00368686% change) linmin: converged after 3 iterations. iteration 184: trace = 6.681749517040164 (0.0028751% change) linmin: converged after 3 iterations. iteration 185: trace = 6.681583318928936 (0.00248738% change) linmin: converged after 5 iterations. iteration 186: trace = 6.681435949572898 (0.00220563% change) linmin: converged after 3 iterations. iteration 187: trace = 6.681306362279191 (0.00193953% change) linmin: converged after 5 iterations. iteration 188: trace = 6.68118616255739 (0.00179906% change) linmin: converged after 3 iterations. iteration 189: trace = 6.681029168186527 (0.00234983% change) linmin: converged after 4 iterations. iteration 190: trace = 6.68091788698604 (0.00166564% change) linmin: converged after 4 iterations. iteration 191: trace = 6.680793007016501 (0.00186922% change) linmin: converged after 3 iterations. iteration 192: trace = 6.680698925300111 (0.00140825% change) linmin: converged after 3 iterations. iteration 193: trace = 6.680603490590562 (0.00142852% change) linmin: converged after 3 iterations. iteration 194: trace = 6.680555992876951 (0.000710982% change) linmin: converged after 3 iterations. iteration 195: trace = 6.680497530806602 (0.000875112% change) linmin: converged after 4 iterations. iteration 196: trace = 6.680465917269473 (0.000473222% change) linmin: converged after 5 iterations. iteration 197: trace = 6.680419024356515 (0.000701943% change) linmin: converged after 3 iterations. iteration 198: trace = 6.680388053627762 (0.000463606% change) linmin: converged after 3 iterations. iteration 199: trace = 6.680345252324641 (0.000640703% change) linmin: converged after 4 iterations. iteration 200: trace = 6.680315656044407 (0.000443036% change) linmin: converged after 13 iterations. iteration 201: trace = 6.680273977133462 (0.000623908% change) linmin: converged after 3 iterations. iteration 202: trace = 6.680252940741233 (0.000314904% change) linmin: converged after 4 iterations. iteration 203: trace = 6.680221024379043 (0.000477773% change) linmin: converged after 3 iterations. iteration 204: trace = 6.680206060237897 (0.000224007% change) linmin: converged after 3 iterations. iteration 205: trace = 6.680188908244978 (0.000256759% change) linmin: converged after 3 iterations. iteration 206: trace = 6.680180723571723 (0.000122522% change) linmin: converged after 3 iterations. iteration 207: trace = 6.680167171789034 (0.000202866% change) linmin: converged after 3 iterations. iteration 208: trace = 6.680160724540633 (9.65133e-05% change) linmin: converged after 3 iterations. iteration 209: trace = 6.680149211613839 (0.000172345% change) resetting CG direction... linmin: converged after 5 iterations. iteration 210: trace = 6.680141306405188 (0.000118339% change) linmin: converged after 4 iterations. iteration 211: trace = 6.680129707104666 (0.000173639% change) linmin: converged after 4 iterations. iteration 212: trace = 6.680117724787703 (0.000179373% change) linmin: converged after 3 iterations. iteration 213: trace = 6.680112548768048 (7.7484e-05% change) linmin: converged after 4 iterations. iteration 214: trace = 6.680102826504739 (0.000145541% change) linmin: converged after 10 iterations. iteration 215: trace = 6.680094664191323 (0.000122189% change) linmin: converged after 3 iterations. iteration 216: trace = 6.680091552906312 (4.65755e-05% change) linmin: converged after 4 iterations. iteration 217: trace = 6.680087526994608 (6.02673e-05% change) linmin: converged after 4 iterations. iteration 218: trace = 6.680084055736089 (5.19643e-05% change) linmin: converged after 3 iterations. iteration 219: trace = 6.680083094998932 (1.43821e-05% change) linmin: converged after 4 iterations. iteration 220: trace = 6.680081318393286 (2.65956e-05% change) linmin: converged after 2 iterations. iteration 221: trace = 6.680079323617409 (2.98616e-05% change) linmin: converged after 4 iterations. iteration 222: trace = 6.680077671618371 (2.47302e-05% change) linmin: converged after 4 iterations. iteration 223: trace = 6.680075761057959 (2.86009e-05% change) linmin: converged after 3 iterations. iteration 224: trace = 6.680073835787651 (2.88211e-05% change) linmin: converged after 4 iterations. iteration 225: trace = 6.680073222712853 (9.17767e-06% change) linmin: converged after 3 iterations. iteration 226: trace = 6.680072529492016 (1.03774e-05% change) linmin: converged after 4 iterations. iteration 227: trace = 6.680071660450433 (1.30095e-05% change) linmin: converged after 4 iterations. iteration 228: trace = 6.680071348592291 (4.66849e-06% change) linmin: converged after 3 iterations. iteration 229: trace = 6.680070763749358 (8.75504e-06% change) linmin: converged after 2 iterations. iteration 230: trace = 6.680070265447124 (7.45954e-06% change) linmin: converged after 4 iterations. iteration 231: trace = 6.680069810866106 (6.80503e-06% change) linmin: converged after 3 iterations. iteration 232: trace = 6.680069647127132 (2.45116e-06% change) large trace change predicted (5.89221e-06%) linmin: converged after 2 iterations. iteration 233: trace = 6.680069253517108 (5.8923e-06% change) linmin: converged after 4 iterations. iteration 234: trace = 6.680068947926481 (4.57466e-06% change) linmin: converged after 2 iterations. iteration 235: trace = 6.680068802272046 (2.18043e-06% change) linmin: converged after 13 iterations. iteration 236: trace = 6.680068641203307 (2.41118e-06% change) linmin: converged after 5 iterations. iteration 237: trace = 6.680068538496874 (1.53751e-06% change) linmin: converged after 5 iterations. iteration 238: trace = 6.680068501532514 (5.53353e-07% change) linmin: converged after 3 iterations. iteration 239: trace = 6.680068438512994 (9.43396e-07% change) linmin: converged after 5 iterations. iteration 240: trace = 6.680068379295211 (8.86485e-07% change) linmin: converged after 11 iterations. iteration 241: trace = 6.680068348463998 (4.6154e-07% change) linmin: converged after 4 iterations. iteration 242: trace = 6.68006830935616 (5.85441e-07% change) linmin: converged after 4 iterations. iteration 243: trace = 6.680068281396476 (4.18554e-07% change) linmin: converged after 5 iterations. iteration 244: trace = 6.680068269147787 (1.83362e-07% change) linmin: converged after 5 iterations. iteration 245: trace = 6.6800682516701 (2.61639e-07% change) linmin: converged after 6 iterations. iteration 246: trace = 6.680068231541936 (3.01317e-07% change) linmin: converged after 4 iterations. iteration 247: trace = 6.68006822014569 (1.70601e-07% change) linmin: converged after 4 iterations. iteration 248: trace = 6.680068214812728 (7.9834e-08% change) linmin: converged after 4 iterations. iteration 249: trace = 6.680068207046533 (1.16259e-07% change) linmin: converged after 7 iterations. iteration 250: trace = 6.68006819870077 (1.24935e-07% change) linmin: converged after 4 iterations. iteration 251: trace = 6.680068195620726 (4.6108e-08% change) linmin: converged after 4 iterations. iteration 252: trace = 6.680068190690411 (7.38064e-08% change) linmin: converged after 6 iterations. iteration 253: trace = 6.680068188124061 (3.8418e-08% change) linmin: converged after 31 iterations. iteration 254: trace = 6.680068186230165 (2.83514e-08% change) linmin: converged after 4 iterations. iteration 255: trace = 6.680068183548971 (4.01372e-08% change) linmin: converged after 6 iterations. iteration 256: trace = 6.680068181084417 (3.68941e-08% change) linmin: converged after 9 iterations. iteration 257: trace = 6.680068180529753 (8.30327e-09% change) linmin: converged after 4 iterations. iteration 258: trace = 6.680068179648179 (1.31971e-08% change) linmin: converged after 10 iterations. iteration 259: trace = 6.680068178936502 (1.06538e-08% change) linmin: converged after 7 iterations. iteration 260: trace = 6.680068178568506 (5.50886e-09% change) linmin: converged after 7 iterations. iteration 261: trace = 6.680068178358582 (3.14255e-09% change) linmin: converged after 5 iterations. iteration 262: trace = 6.680068178086279 (4.07635e-09% change) linmin: converged after 4 iterations. iteration 263: trace = 6.680068177950682 (2.02987e-09% change) linmin: converged after 4 iterations. iteration 264: trace = 6.680068177805048 (2.18012e-09% change) linmin: converged after 4 iterations. iteration 265: trace = 6.680068177579251 (3.38016e-09% change) linmin: converged after 21 iterations. iteration 266: trace = 6.680068177456648 (1.83536e-09% change) linmin: converged after 22 iterations. iteration 267: trace = 6.680068177411629 (6.73932e-10% change) large trace change predicted (1.36988e-09%) linmin: converged after 4 iterations. iteration 268: trace = 6.680068177320161 (1.36927e-09% change) linmin: converged after 3 iterations. iteration 269: trace = 6.680068177254681 (9.80231e-10% change) linmin: converged after 11 iterations. iteration 270: trace = 6.680068177226591 (4.20498e-10% change) linmin: converged after 13 iterations. iteration 271: trace = 6.68006817717807 (7.26358e-10% change) linmin: converged after 4 iterations. iteration 272: trace = 6.680068177149542 (4.27053e-10% change) linmin: converged after 15 iterations. iteration 273: trace = 6.680068177134154 (2.30366e-10% change) linmin: converged after 7 iterations. iteration 274: trace = 6.680068177119505 (2.1929e-10% change) linmin: converged after 16 iterations. iteration 275: trace = 6.68006817709515 (3.64588e-10% change) linmin: converged after 4 iterations. iteration 276: trace = 6.680068177089201 (8.90696e-11% change) Finished solving for bands 1 to 8 after 276 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.307852, 0.505558, 0.80155, 0.837884, 0.938877, 1.07767, 1.16248, 1.26133 elapsed time for k point: 2.235098123550415 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.654587647107056 (0.0686622% change) linmin: converged after 4 iterations. iteration 2: trace = 6.650159867781105 (0.0665594% change) linmin: converged after 4 iterations. iteration 3: trace = 6.648179278398916 (0.029787% change) linmin: converged after 11 iterations. iteration 4: trace = 6.64753428827374 (0.00970223% change) linmin: converged after 4 iterations. iteration 5: trace = 6.646966711507838 (0.00853852% change) linmin: converged after 3 iterations. iteration 6: trace = 6.645994103904903 (0.0146334% change) linmin: converged after 7 iterations. iteration 7: trace = 6.645304795434273 (0.0103723% change) linmin: converged after 5 iterations. iteration 8: trace = 6.644933112305865 (0.00559333% change) linmin: converged after 4 iterations. iteration 9: trace = 6.644423384405195 (0.00767122% change) linmin: converged after 3 iterations. iteration 10: trace = 6.644201201600824 (0.00334395% change) linmin: converged after 3 iterations. iteration 11: trace = 6.643990357561754 (0.0031734% change) linmin: converged after 4 iterations. iteration 12: trace = 6.643843598182427 (0.00220893% change) linmin: converged after 3 iterations. iteration 13: trace = 6.643564792914024 (0.00419653% change) linmin: converged after 4 iterations. iteration 14: trace = 6.643279683137933 (0.00429161% change) linmin: converged after 3 iterations. iteration 15: trace = 6.643071635833856 (0.00313174% change) linmin: converged after 13 iterations. iteration 16: trace = 6.642974802986185 (0.00145766% change) linmin: converged after 4 iterations. iteration 17: trace = 6.642909152389527 (0.000988276% change) linmin: converged after 3 iterations. iteration 18: trace = 6.642890198485007 (0.000285326% change) linmin: converged after 5 iterations. iteration 19: trace = 6.642868869752618 (0.000321077% change) linmin: converged after 3 iterations. iteration 20: trace = 6.642841265095529 (0.000415554% change) linmin: converged after 7 iterations. iteration 21: trace = 6.642822909072448 (0.000276328% change) linmin: converged after 3 iterations. iteration 22: trace = 6.642805067487298 (0.000268585% change) linmin: converged after 3 iterations. iteration 23: trace = 6.642791440630938 (0.000205137% change) linmin: converged after 4 iterations. iteration 24: trace = 6.642785629385782 (8.7482e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 6.642782972183236 (4.00013e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 6.642780011656292 (4.45676e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.642778218592625 (2.69927e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 6.642777034519781 (1.7825e-05% change) large trace change predicted (3.72542e-05%) linmin: converged after 5 iterations. iteration 29: trace = 6.642774560797502 (3.72393e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.642773636337617 (1.39168e-05% change) linmin: converged after 3 iterations. iteration 31: trace = 6.642772723116847 (1.37476e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.642771828275745 (1.34709e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.6427708758641 (1.43376e-05% change) linmin: converged after 4 iterations. iteration 34: trace = 6.642770554213544 (4.84211e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 6.642770128476467 (6.40903e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 6.642769885792485 (3.65336e-06% change) linmin: converged after 14 iterations. iteration 37: trace = 6.64276977675445 (1.64145e-06% change) linmin: converged after 4 iterations. iteration 38: trace = 6.642769636190063 (2.11605e-06% change) linmin: converged after 2 iterations. iteration 39: trace = 6.64276952993943 (1.59949e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 6.642769482550485 (7.13391e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 6.642769417347201 (9.81568e-07% change) linmin: converged after 3 iterations. iteration 42: trace = 6.642769380718978 (5.514e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 6.642769352341737 (4.2719e-07% change) linmin: converged after 15 iterations. iteration 44: trace = 6.642769335010302 (2.60907e-07% change) linmin: converged after 4 iterations. iteration 45: trace = 6.642769308420513 (4.00282e-07% change) linmin: converged after 3 iterations. iteration 46: trace = 6.642769295753125 (1.90694e-07% change) linmin: converged after 7 iterations. iteration 47: trace = 6.642769286124278 (1.44952e-07% change) linmin: converged after 2 iterations. iteration 48: trace = 6.642769278116051 (1.20556e-07% change) linmin: converged after 15 iterations. iteration 49: trace = 6.642769268635163 (1.42725e-07% change) linmin: converged after 3 iterations. iteration 50: trace = 6.642769264679356 (5.95506e-08% change) linmin: converged after 2 iterations. iteration 51: trace = 6.642769258364048 (9.50704e-08% change) linmin: converged after 2 iterations. iteration 52: trace = 6.642769255028356 (5.02154e-08% change) linmin: converged after 4 iterations. iteration 53: trace = 6.642769253596793 (2.15507e-08% change) linmin: converged after 6 iterations. iteration 54: trace = 6.642769251332918 (3.40803e-08% change) linmin: converged after 3 iterations. iteration 55: trace = 6.64276925007824 (1.88879e-08% change) linmin: converged after 3 iterations. iteration 56: trace = 6.642769249336583 (1.11649e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 6.642769248110906 (1.84513e-08% change) linmin: converged after 10 iterations. iteration 58: trace = 6.642769246939288 (1.76375e-08% change) linmin: converged after 2 iterations. iteration 59: trace = 6.642769246530508 (6.15375e-09% change) linmin: converged after 3 iterations. iteration 60: trace = 6.642769246056794 (7.13128e-09% change) linmin: converged after 4 iterations. iteration 61: trace = 6.642769245799189 (3.87797e-09% change) linmin: converged after 12 iterations. iteration 62: trace = 6.642769245597216 (3.0405e-09% change) linmin: converged after 4 iterations. iteration 63: trace = 6.64276924536166 (3.54604e-09% change) linmin: converged after 4 iterations. iteration 64: trace = 6.642769245063349 (4.49077e-09% change) linmin: converged after 21 iterations. iteration 65: trace = 6.642769244986269 (1.16035e-09% change) linmin: converged after 4 iterations. iteration 66: trace = 6.642769244866158 (1.80815e-09% change) linmin: converged after 12 iterations. iteration 67: trace = 6.642769244789783 (1.14974e-09% change) linmin: converged after 5 iterations. iteration 68: trace = 6.64276924474427 (6.85163e-10% change) linmin: converged after 5 iterations. iteration 69: trace = 6.642769244696984 (7.11838e-10% change) resetting CG direction... linmin: converged after 11 iterations. iteration 70: trace = 6.642769244672526 (3.68186e-10% change) linmin: converged after 17 iterations. iteration 71: trace = 6.642769244656923 (2.34895e-10% change) linmin: converged after 12 iterations. iteration 72: trace = 6.642769244637179 (2.97215e-10% change) linmin: converged after 7 iterations. iteration 73: trace = 6.642769244619195 (2.70741e-10% change) linmin: converged after 6 iterations. iteration 74: trace = 6.642769244609402 (1.47411e-10% change) linmin: converged after 4 iterations. iteration 75: trace = 6.642769244598618 (1.62346e-10% change) linmin: converged after 4 iterations. iteration 76: trace = 6.642769244581568 (2.56675e-10% change) linmin: converged after 6 iterations. iteration 77: trace = 6.642769244576151 (8.15473e-11% change) Finished solving for bands 1 to 8 after 77 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.344122, 0.473282, 0.803737, 0.850595, 0.922321, 1.07128, 1.20345, 1.21829 elapsed time for k point: 0.564547061920166 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.68742931650452 (0.117811% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68264724993627 (0.0715339% change) linmin: converged after 4 iterations. iteration 3: trace = 6.679627785477054 (0.0451939% change) linmin: converged after 4 iterations. iteration 4: trace = 6.674424620075824 (0.0779264% change) linmin: converged after 4 iterations. iteration 5: trace = 6.670593745708849 (0.0574128% change) linmin: converged after 3 iterations. iteration 6: trace = 6.669532231866325 (0.0159146% change) linmin: converged after 4 iterations. iteration 7: trace = 6.668698851707744 (0.0124961% change) linmin: converged after 4 iterations. iteration 8: trace = 6.667450144262116 (0.0187267% change) linmin: converged after 4 iterations. iteration 9: trace = 6.666854082081396 (0.00894028% change) linmin: converged after 3 iterations. iteration 10: trace = 6.666560972014663 (0.00439662% change) large trace change predicted (0.0103219%) linmin: converged after 4 iterations. iteration 11: trace = 6.665873835374994 (0.0103077% change) linmin: converged after 3 iterations. iteration 12: trace = 6.665343845652399 (0.00795111% change) linmin: converged after 4 iterations. iteration 13: trace = 6.6649606862781 (0.0057487% change) linmin: converged after 4 iterations. iteration 14: trace = 6.664471825373208 (0.00733506% change) linmin: converged after 3 iterations. iteration 15: trace = 6.664343389402832 (0.00192719% change) linmin: converged after 3 iterations. iteration 16: trace = 6.664235362018363 (0.00162099% change) linmin: converged after 3 iterations. iteration 17: trace = 6.664099940391363 (0.00203209% change) linmin: converged after 3 iterations. iteration 18: trace = 6.663928196790676 (0.00257718% change) linmin: converged after 3 iterations. iteration 19: trace = 6.663861617064658 (0.000999111% change) linmin: converged after 4 iterations. iteration 20: trace = 6.663812745431779 (0.000733386% change) linmin: converged after 3 iterations. iteration 21: trace = 6.663735496481276 (0.00115924% change) linmin: converged after 3 iterations. iteration 22: trace = 6.663674584800469 (0.000914081% change) linmin: converged after 3 iterations. iteration 23: trace = 6.663634505870812 (0.000601456% change) linmin: converged after 9 iterations. iteration 24: trace = 6.663593036444581 (0.000622326% change) linmin: converged after 3 iterations. iteration 25: trace = 6.663573590797871 (0.00029182% change) linmin: converged after 3 iterations. iteration 26: trace = 6.663564019963311 (0.000143629% change) linmin: converged after 5 iterations. iteration 27: trace = 6.663549047822354 (0.000224687% change) linmin: converged after 3 iterations. iteration 28: trace = 6.663543235432437 (8.72267e-05% change) linmin: converged after 3 iterations. iteration 29: trace = 6.663539630863594 (5.40939e-05% change) linmin: converged after 3 iterations. iteration 30: trace = 6.663536020892542 (5.4175e-05% change) large trace change predicted (0.000126921%) linmin: converged after 3 iterations. iteration 31: trace = 6.663527561138237 (0.000126956% change) linmin: converged after 3 iterations. iteration 32: trace = 6.663522804103543 (7.13892e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.663519840010221 (4.44824e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.663516773109635 (4.60252e-05% change) linmin: converged after 10 iterations. iteration 35: trace = 6.663513854797477 (4.37954e-05% change) linmin: converged after 3 iterations. iteration 36: trace = 6.66351282127115 (1.55102e-05% change) large trace change predicted (3.45247e-05%) linmin: converged after 4 iterations. iteration 37: trace = 6.663510520492019 (3.4528e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.663509473855813 (1.5707e-05% change) linmin: converged after 2 iterations. iteration 39: trace = 6.66350905948412 (6.21852e-06% change) large trace change predicted (1.52973e-05%) linmin: converged after 4 iterations. iteration 40: trace = 6.663508040074779 (1.52984e-05% change) linmin: converged after 13 iterations. iteration 41: trace = 6.66350736878073 (1.00742e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.663506898774938 (7.05343e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.663506558850175 (5.10129e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 6.663506414509431 (2.16614e-06% change) linmin: converged after 28 iterations. iteration 45: trace = 6.663506331481697 (1.24601e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 6.663506215056473 (1.74721e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.663506039962352 (2.62766e-06% change) linmin: converged after 18 iterations. iteration 48: trace = 6.663505983919635 (8.41039e-07% change) linmin: converged after 11 iterations. iteration 49: trace = 6.663505907580257 (1.14563e-06% change) linmin: converged after 13 iterations. iteration 50: trace = 6.663505851053846 (8.48298e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 6.663505805273885 (6.87025e-07% change) linmin: converged after 5 iterations. iteration 52: trace = 6.663505790517945 (2.21444e-07% change) linmin: converged after 3 iterations. iteration 53: trace = 6.663505766537905 (3.59871e-07% change) linmin: converged after 5 iterations. iteration 54: trace = 6.663505741527417 (3.75335e-07% change) linmin: converged after 23 iterations. iteration 55: trace = 6.663505723766454 (2.66541e-07% change) linmin: converged after 30 iterations. iteration 56: trace = 6.663505707395612 (2.45679e-07% change) linmin: converged after 3 iterations. iteration 57: trace = 6.663505697307992 (1.51386e-07% change) linmin: converged after 9 iterations. iteration 58: trace = 6.663505694719878 (3.88401e-08% change) linmin: converged after 4 iterations. iteration 59: trace = 6.663505691931844 (4.18403e-08% change) linmin: converged after 5 iterations. iteration 60: trace = 6.663505688935059 (4.49731e-08% change) linmin: converged after 6 iterations. iteration 61: trace = 6.663505686196303 (4.11008e-08% change) linmin: converged after 4 iterations. iteration 62: trace = 6.663505684949426 (1.8712e-08% change) linmin: converged after 4 iterations. iteration 63: trace = 6.663505683329686 (2.43076e-08% change) linmin: converged after 12 iterations. iteration 64: trace = 6.663505682013065 (1.97587e-08% change) linmin: converged after 4 iterations. iteration 65: trace = 6.663505681318125 (1.0429e-08% change) linmin: converged after 4 iterations. iteration 66: trace = 6.66350568000373 (1.97253e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.66350567919139 (1.21909e-08% change) linmin: converged after 6 iterations. iteration 68: trace = 6.663505678759838 (6.47635e-09% change) linmin: converged after 4 iterations. iteration 69: trace = 6.663505678470865 (4.33666e-09% change) resetting CG direction... linmin: converged after 8 iterations. iteration 70: trace = 6.663505678324041 (2.2034e-09% change) linmin: converged after 4 iterations. iteration 71: trace = 6.663505678226369 (1.46578e-09% change) linmin: converged after 6 iterations. iteration 72: trace = 6.663505678094277 (1.98233e-09% change) linmin: converged after 10 iterations. iteration 73: trace = 6.663505677965077 (1.93892e-09% change) linmin: converged after 18 iterations. iteration 74: trace = 6.66350567790878 (8.44845e-10% change) linmin: converged after 5 iterations. iteration 75: trace = 6.663505677805992 (1.54256e-09% change) linmin: converged after 17 iterations. iteration 76: trace = 6.663505677741501 (9.67818e-10% change) linmin: converged after 4 iterations. iteration 77: trace = 6.663505677712489 (4.35392e-10% change) linmin: converged after 6 iterations. iteration 78: trace = 6.663505677678069 (5.16539e-10% change) linmin: converged after 4 iterations. iteration 79: trace = 6.663505677642904 (5.27722e-10% change) linmin: converged after 3 iterations. iteration 80: trace = 6.663505677622344 (3.08553e-10% change) linmin: converged after 4 iterations. iteration 81: trace = 6.66350567759534 (4.05255e-10% change) linmin: converged after 7 iterations. iteration 82: trace = 6.663505677568731 (3.99323e-10% change) linmin: converged after 8 iterations. iteration 83: trace = 6.663505677547433 (3.19616e-10% change) linmin: converged after 6 iterations. iteration 84: trace = 6.66350567753745 (1.49818e-10% change) linmin: converged after 17 iterations. iteration 85: trace = 6.663505677527924 (1.42953e-10% change) linmin: converged after 3 iterations. iteration 86: trace = 6.663505677520225 (1.15549e-10% change) linmin: converged after 4 iterations. iteration 87: trace = 6.663505677515312 (7.37227e-11% change) Finished solving for bands 1 to 8 after 87 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.349806, 0.482366, 0.768987, 0.886345, 0.90475, 1.06612, 1.21866, 1.22114 elapsed time for k point: 0.6026105880737305 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.744447576192536 (0.144039% change) linmin: converged after 4 iterations. iteration 2: trace = 6.737974342923063 (0.0960248% change) linmin: converged after 4 iterations. iteration 3: trace = 6.732141779138002 (0.0866001% change) linmin: converged after 10 iterations. iteration 4: trace = 6.724828824799297 (0.108686% change) linmin: converged after 4 iterations. iteration 5: trace = 6.721434301434448 (0.0504902% change) linmin: converged after 3 iterations. iteration 6: trace = 6.718962207953828 (0.036786% change) linmin: converged after 4 iterations. iteration 7: trace = 6.717543137081957 (0.0211226% change) linmin: converged after 4 iterations. iteration 8: trace = 6.716463667344186 (0.0160707% change) linmin: converged after 3 iterations. iteration 9: trace = 6.715767538644822 (0.010365% change) linmin: converged after 4 iterations. iteration 10: trace = 6.714605745657165 (0.017301% change) linmin: converged after 4 iterations. iteration 11: trace = 6.713521880138656 (0.0161432% change) linmin: converged after 3 iterations. iteration 12: trace = 6.712581824447608 (0.0140034% change) linmin: converged after 3 iterations. iteration 13: trace = 6.711589810654388 (0.0147795% change) linmin: converged after 3 iterations. iteration 14: trace = 6.710907667568817 (0.0101642% change) linmin: converged after 10 iterations. iteration 15: trace = 6.710743951444661 (0.00243958% change) linmin: converged after 3 iterations. iteration 16: trace = 6.710422647844937 (0.00478801% change) linmin: converged after 3 iterations. iteration 17: trace = 6.710149737642435 (0.00406704% change) linmin: converged after 3 iterations. iteration 18: trace = 6.709926502205309 (0.00332689% change) linmin: converged after 3 iterations. iteration 19: trace = 6.709615223170183 (0.00463919% change) linmin: converged after 3 iterations. iteration 20: trace = 6.709383091625185 (0.00345974% change) linmin: converged after 5 iterations. iteration 21: trace = 6.709272391414308 (0.00164994% change) linmin: converged after 3 iterations. iteration 22: trace = 6.709164433466661 (0.0016091% change) linmin: converged after 5 iterations. iteration 23: trace = 6.70908228328382 (0.00122445% change) linmin: converged after 3 iterations. iteration 24: trace = 6.709040655657285 (0.000620469% change) linmin: converged after 5 iterations. iteration 25: trace = 6.709012986378738 (0.000412419% change) linmin: converged after 5 iterations. iteration 26: trace = 6.708973601698106 (0.000587043% change) linmin: converged after 4 iterations. iteration 27: trace = 6.708949152657861 (0.000364424% change) linmin: converged after 3 iterations. iteration 28: trace = 6.70893965639722 (0.000141546% change) linmin: converged after 3 iterations. iteration 29: trace = 6.708921851719259 (0.000265388% change) linmin: converged after 3 iterations. iteration 30: trace = 6.708911469458197 (0.000154753% change) linmin: converged after 4 iterations. iteration 31: trace = 6.70890382172838 (0.000113994% change) linmin: converged after 3 iterations. iteration 32: trace = 6.708893718526304 (0.000150594% change) linmin: converged after 3 iterations. iteration 33: trace = 6.708883945393598 (0.000145674% change) linmin: converged after 3 iterations. iteration 34: trace = 6.708879440618364 (6.71464e-05% change) linmin: converged after 3 iterations. iteration 35: trace = 6.70887148922375 (0.000118521% change) linmin: converged after 4 iterations. iteration 36: trace = 6.708866031276438 (8.13542e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 6.708863197039666 (4.22461e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.708860829014249 (3.5297e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 6.708858447965409 (3.54911e-05% change) linmin: converged after 4 iterations. iteration 40: trace = 6.70885699851949 (2.1605e-05% change) linmin: converged after 4 iterations. iteration 41: trace = 6.708854902078135 (3.12489e-05% change) linmin: converged after 5 iterations. iteration 42: trace = 6.708852610157979 (3.41626e-05% change) linmin: converged after 7 iterations. iteration 43: trace = 6.708851929415184 (1.01469e-05% change) linmin: converged after 3 iterations. iteration 44: trace = 6.708851237626785 (1.03116e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 6.70885027561984 (1.43394e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.708849646388729 (9.37912e-06% change) linmin: converged after 3 iterations. iteration 47: trace = 6.708848882347832 (1.13886e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.708848312891008 (8.48815e-06% change) linmin: converged after 3 iterations. iteration 49: trace = 6.708847879057657 (6.46658e-06% change) linmin: converged after 4 iterations. iteration 50: trace = 6.708847658500213 (3.28756e-06% change) large trace change predicted (7.00998e-06%) linmin: converged after 3 iterations. iteration 51: trace = 6.708847188193878 (7.01024e-06% change) linmin: converged after 4 iterations. iteration 52: trace = 6.708846832260756 (5.30543e-06% change) linmin: converged after 4 iterations. iteration 53: trace = 6.708846619290997 (3.17446e-06% change) linmin: converged after 4 iterations. iteration 54: trace = 6.708846387823803 (3.45018e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 6.708846177703117 (3.13199e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 6.708846099890919 (1.15984e-06% change) linmin: converged after 4 iterations. iteration 57: trace = 6.708845988799521 (1.65589e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.708845926155869 (9.33747e-07% change) linmin: converged after 4 iterations. iteration 59: trace = 6.708845871850761 (8.09455e-07% change) linmin: converged after 3 iterations. iteration 60: trace = 6.708845822809999 (7.30987e-07% change) linmin: converged after 13 iterations. iteration 61: trace = 6.708845760356785 (9.30908e-07% change) linmin: converged after 2 iterations. iteration 62: trace = 6.708845743003738 (2.58659e-07% change) linmin: converged after 6 iterations. iteration 63: trace = 6.708845724909576 (2.69706e-07% change) linmin: converged after 7 iterations. iteration 64: trace = 6.708845702105168 (3.39916e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 6.708845680327379 (3.24613e-07% change) linmin: converged after 3 iterations. iteration 66: trace = 6.708845664241937 (2.39765e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 6.708845650777155 (2.00702e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.70884564540356 (8.00972e-08% change) linmin: converged after 4 iterations. iteration 69: trace = 6.708845642040083 (5.0135e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.708845640023133 (3.0064e-08% change) linmin: converged after 6 iterations. iteration 71: trace = 6.708845637674435 (3.5009e-08% change) linmin: converged after 7 iterations. iteration 72: trace = 6.708845634535178 (4.67928e-08% change) linmin: converged after 4 iterations. iteration 73: trace = 6.708845632986879 (2.30785e-08% change) linmin: converged after 5 iterations. iteration 74: trace = 6.708845630875833 (3.14666e-08% change) linmin: converged after 5 iterations. iteration 75: trace = 6.708845629670519 (1.7966e-08% change) linmin: converged after 6 iterations. iteration 76: trace = 6.708845628753616 (1.36671e-08% change) linmin: converged after 4 iterations. iteration 77: trace = 6.70884562822794 (7.83556e-09% change) large trace change predicted (2.48466e-08%) linmin: converged after 23 iterations. iteration 78: trace = 6.708845626561008 (2.48468e-08% change) linmin: converged after 9 iterations. iteration 79: trace = 6.708845625403148 (1.72587e-08% change) linmin: converged after 4 iterations. iteration 80: trace = 6.70884562479595 (9.05071e-09% change) linmin: converged after 3 iterations. iteration 81: trace = 6.708845624335575 (6.86222e-09% change) linmin: converged after 5 iterations. iteration 82: trace = 6.708845623794146 (8.07036e-09% change) linmin: converged after 6 iterations. iteration 83: trace = 6.708845623391334 (6.00419e-09% change) linmin: converged after 18 iterations. iteration 84: trace = 6.708845623153671 (3.54254e-09% change) linmin: converged after 4 iterations. iteration 85: trace = 6.708845622824374 (4.90841e-09% change) linmin: converged after 7 iterations. iteration 86: trace = 6.708845622521746 (4.51087e-09% change) linmin: converged after 5 iterations. iteration 87: trace = 6.708845622386532 (2.01547e-09% change) linmin: converged after 3 iterations. iteration 88: trace = 6.708845622195872 (2.84192e-09% change) linmin: converged after 13 iterations. iteration 89: trace = 6.70884562208354 (1.67439e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.708845622026524 (8.49859e-10% change) linmin: converged after 4 iterations. iteration 91: trace = 6.70884562197662 (7.43855e-10% change) linmin: converged after 15 iterations. iteration 92: trace = 6.708845621907461 (1.03086e-09% change) linmin: converged after 4 iterations. iteration 93: trace = 6.708845621861144 (6.90383e-10% change) linmin: converged after 2 iterations. iteration 94: trace = 6.708845621839582 (3.21401e-10% change) linmin: converged after 7 iterations. iteration 95: trace = 6.708845621811404 (4.20005e-10% change) linmin: converged after 20 iterations. iteration 96: trace = 6.708845621769485 (6.24837e-10% change) linmin: converged after 2 iterations. iteration 97: trace = 6.708845621745693 (3.54631e-10% change) linmin: converged after 9 iterations. iteration 98: trace = 6.708845621735803 (1.47429e-10% change) linmin: converged after 3 iterations. iteration 99: trace = 6.708845621726293 (1.41749e-10% change) linmin: converged after 6 iterations. iteration 100: trace = 6.708845621714833 (1.70822e-10% change) linmin: converged after 16 iterations. iteration 101: trace = 6.708845621703096 (1.74939e-10% change) linmin: converged after 2 iterations. iteration 102: trace = 6.708845621696623 (9.64852e-11% change) Finished solving for bands 1 to 8 after 102 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.365505, 0.508431, 0.720714, 0.859475, 0.938003, 1.05964, 1.21894, 1.25305 elapsed time for k point: 0.9816744327545166 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.789698402540012 (0.215823% change) linmin: converged after 4 iterations. iteration 2: trace = 6.777922809184626 (0.173584% change) linmin: converged after 4 iterations. iteration 3: trace = 6.769206232693758 (0.128685% change) linmin: converged after 4 iterations. iteration 4: trace = 6.76325344397442 (0.0879779% change) linmin: converged after 4 iterations. iteration 5: trace = 6.760899822538645 (0.0348062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.758681340451685 (0.0328188% change) linmin: converged after 3 iterations. iteration 7: trace = 6.757086578769755 (0.0235985% change) linmin: converged after 4 iterations. iteration 8: trace = 6.75583213723433 (0.0185666% change) linmin: converged after 3 iterations. iteration 9: trace = 6.754118420493429 (0.0253697% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751749024984656 (0.0350869% change) linmin: converged after 3 iterations. iteration 11: trace = 6.749302777868128 (0.0362379% change) linmin: converged after 3 iterations. iteration 12: trace = 6.748516468829814 (0.0116509% change) linmin: converged after 4 iterations. iteration 13: trace = 6.747249192728425 (0.0187804% change) linmin: converged after 3 iterations. iteration 14: trace = 6.746632657937885 (0.00913799% change) linmin: converged after 4 iterations. iteration 15: trace = 6.745834648382977 (0.011829% change) linmin: converged after 3 iterations. iteration 16: trace = 6.745082859682247 (0.0111451% change) linmin: converged after 3 iterations. iteration 17: trace = 6.743977423369205 (0.0163901% change) linmin: converged after 3 iterations. iteration 18: trace = 6.743390498642494 (0.00870332% change) linmin: converged after 4 iterations. iteration 19: trace = 6.743072725681261 (0.00471247% change) linmin: converged after 3 iterations. iteration 20: trace = 6.74271595156103 (0.00529111% change) linmin: converged after 4 iterations. iteration 21: trace = 6.742464067615607 (0.00373571% change) linmin: converged after 3 iterations. iteration 22: trace = 6.742330442516543 (0.00198186% change) linmin: converged after 3 iterations. iteration 23: trace = 6.742122757347128 (0.00308036% change) linmin: converged after 3 iterations. iteration 24: trace = 6.742003824595118 (0.00176404% change) linmin: converged after 3 iterations. iteration 25: trace = 6.741881004987275 (0.00182172% change) linmin: converged after 3 iterations. iteration 26: trace = 6.741788398443999 (0.00137361% change) linmin: converged after 3 iterations. iteration 27: trace = 6.741624598216273 (0.00242966% change) linmin: converged after 3 iterations. iteration 28: trace = 6.741503235165387 (0.00180022% change) linmin: converged after 3 iterations. iteration 29: trace = 6.741388464304385 (0.00170247% change) linmin: converged after 4 iterations. iteration 30: trace = 6.741262264289297 (0.00187204% change) linmin: converged after 5 iterations. iteration 31: trace = 6.741141889768689 (0.00178565% change) linmin: converged after 3 iterations. iteration 32: trace = 6.741091944003339 (0.000740912% change) large trace change predicted (0.00157116%) linmin: converged after 3 iterations. iteration 33: trace = 6.740986066559797 (0.00157064% change) linmin: converged after 3 iterations. iteration 34: trace = 6.740890541670522 (0.00141709% change) linmin: converged after 3 iterations. iteration 35: trace = 6.7408213747181 (0.00102609% change) linmin: converged after 3 iterations. iteration 36: trace = 6.740737624556463 (0.00124244% change) linmin: converged after 3 iterations. iteration 37: trace = 6.740661829510442 (0.00112444% change) linmin: converged after 3 iterations. iteration 38: trace = 6.740629883340712 (0.000473933% change) linmin: converged after 3 iterations. iteration 39: trace = 6.740602082550813 (0.000412437% change) linmin: converged after 3 iterations. iteration 40: trace = 6.740570553168162 (0.000467754% change) linmin: converged after 7 iterations. iteration 41: trace = 6.74053612837471 (0.000510712% change) linmin: converged after 4 iterations. iteration 42: trace = 6.740511929686533 (0.000359003% change) linmin: converged after 5 iterations. iteration 43: trace = 6.740477773353071 (0.000506733% change) linmin: converged after 3 iterations. iteration 44: trace = 6.740464321378628 (0.00019957% change) linmin: converged after 4 iterations. iteration 45: trace = 6.740454926780418 (0.000139376% change) linmin: converged after 3 iterations. iteration 46: trace = 6.74044291111251 (0.000178262% change) linmin: converged after 3 iterations. iteration 47: trace = 6.74043321663761 (0.000143826% change) linmin: converged after 3 iterations. iteration 48: trace = 6.740427223431901 (8.89143e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.740422385872732 (7.17694e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 6.740416728690716 (8.39292e-05% change) linmin: converged after 4 iterations. iteration 51: trace = 6.740414143557759 (3.83527e-05% change) linmin: converged after 3 iterations. iteration 52: trace = 6.740411995084093 (3.18745e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.740409269342337 (4.04388e-05% change) linmin: converged after 3 iterations. iteration 54: trace = 6.740406804496367 (3.65682e-05% change) linmin: converged after 4 iterations. iteration 55: trace = 6.740405527571734 (1.89443e-05% change) linmin: converged after 4 iterations. iteration 56: trace = 6.740404266827904 (1.87043e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.740403728311245 (7.98938e-06% change) linmin: converged after 4 iterations. iteration 58: trace = 6.740403437939013 (4.30794e-06% change) linmin: converged after 4 iterations. iteration 59: trace = 6.740402943742991 (7.33185e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.740402141544934 (1.19013e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.740401774224003 (5.44954e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.740401383616216 (5.79502e-06% change) linmin: converged after 4 iterations. iteration 63: trace = 6.740401213266169 (2.5273e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 6.740401083251827 (1.92888e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.740400960788135 (1.81686e-06% change) linmin: converged after 5 iterations. iteration 66: trace = 6.740400775678938 (2.74626e-06% change) linmin: converged after 4 iterations. iteration 67: trace = 6.740400708064454 (1.00312e-06% change) linmin: converged after 2 iterations. iteration 68: trace = 6.7404006600371 (7.1253e-07% change) linmin: converged after 3 iterations. iteration 69: trace = 6.740400622536338 (5.56358e-07% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.740400603098549 (2.88377e-07% change) linmin: converged after 5 iterations. iteration 71: trace = 6.740400587214242 (2.35658e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 6.740400563938179 (3.45322e-07% change) linmin: converged after 7 iterations. iteration 73: trace = 6.740400533808574 (4.47e-07% change) linmin: converged after 15 iterations. iteration 74: trace = 6.740400521523085 (1.82266e-07% change) linmin: converged after 15 iterations. iteration 75: trace = 6.740400502324264 (2.84832e-07% change) linmin: converged after 7 iterations. iteration 76: trace = 6.740400485755293 (2.45816e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.740400468326008 (2.58579e-07% change) linmin: converged after 2 iterations. iteration 78: trace = 6.740400451024832 (2.56679e-07% change) linmin: converged after 25 iterations. iteration 79: trace = 6.740400430657317 (3.02171e-07% change) linmin: converged after 4 iterations. iteration 80: trace = 6.74040041960462 (1.63977e-07% change) linmin: converged after 3 iterations. iteration 81: trace = 6.740400411507297 (1.20131e-07% change) linmin: converged after 4 iterations. iteration 82: trace = 6.740400400768515 (1.5932e-07% change) linmin: converged after 5 iterations. iteration 83: trace = 6.740400386871048 (2.06182e-07% change) linmin: converged after 3 iterations. iteration 84: trace = 6.740400376262158 (1.57393e-07% change) linmin: converged after 4 iterations. iteration 85: trace = 6.740400359182829 (2.53387e-07% change) linmin: converged after 10 iterations. iteration 86: trace = 6.740400345748313 (1.99313e-07% change) linmin: converged after 10 iterations. iteration 87: trace = 6.740400338468786 (1.07998e-07% change) linmin: converged after 27 iterations. iteration 88: trace = 6.740400333643256 (7.15911e-08% change) linmin: converged after 8 iterations. iteration 89: trace = 6.740400326301053 (1.08928e-07% change) linmin: converged after 2 iterations. iteration 90: trace = 6.74040031633631 (1.47836e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.740400308681972 (1.13559e-07% change) linmin: converged after 10 iterations. iteration 92: trace = 6.74040030005929 (1.27925e-07% change) linmin: converged after 5 iterations. iteration 93: trace = 6.740400294142137 (8.77864e-08% change) linmin: converged after 8 iterations. iteration 94: trace = 6.740400290939562 (4.75131e-08% change) linmin: converged after 6 iterations. iteration 95: trace = 6.740400289529115 (2.09253e-08% change) large trace change predicted (5.32799e-08%) linmin: converged after 3 iterations. iteration 96: trace = 6.740400285937808 (5.32803e-08% change) linmin: converged after 7 iterations. iteration 97: trace = 6.740400283463555 (3.67078e-08% change) linmin: converged after 4 iterations. iteration 98: trace = 6.740400281359919 (3.12094e-08% change) linmin: converged after 18 iterations. iteration 99: trace = 6.740400280453484 (1.34478e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.740400279643643 (1.20147e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.740400278718579 (1.37242e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.740400277875298 (1.25108e-08% change) linmin: converged after 9 iterations. iteration 103: trace = 6.740400277061934 (1.2067e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.740400276406529 (9.72354e-09% change) linmin: converged after 7 iterations. iteration 105: trace = 6.74040027574557 (9.80594e-09% change) linmin: converged after 4 iterations. iteration 106: trace = 6.74040027537741 (5.46199e-09% change) linmin: converged after 18 iterations. iteration 107: trace = 6.740400275190824 (2.76817e-09% change) linmin: converged after 17 iterations. iteration 108: trace = 6.740400275002443 (2.7948e-09% change) linmin: converged after 5 iterations. iteration 109: trace = 6.740400274841483 (2.38799e-09% change) linmin: converged after 4 iterations. iteration 110: trace = 6.740400274671768 (2.51788e-09% change) linmin: converged after 2 iterations. iteration 111: trace = 6.740400274625507 (6.86321e-10% change) linmin: converged after 4 iterations. iteration 112: trace = 6.740400274539467 (1.27649e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.740400274488167 (7.61087e-10% change) linmin: converged after 21 iterations. iteration 114: trace = 6.740400274429472 (8.70785e-10% change) linmin: converged after 4 iterations. iteration 115: trace = 6.740400274391492 (5.63472e-10% change) linmin: converged after 5 iterations. iteration 116: trace = 6.740400274344982 (6.9001e-10% change) linmin: converged after 4 iterations. iteration 117: trace = 6.740400274310222 (5.15706e-10% change) linmin: converged after 6 iterations. iteration 118: trace = 6.74040027429874 (1.70338e-10% change) large trace change predicted (3.6214e-10%) linmin: converged after 10 iterations. iteration 119: trace = 6.740400274274326 (3.62208e-10% change) linmin: converged after 4 iterations. iteration 120: trace = 6.740400274257132 (2.55092e-10% change) linmin: converged after 4 iterations. iteration 121: trace = 6.740400274245594 (1.71168e-10% change) linmin: converged after 9 iterations. iteration 122: trace = 6.740400274235709 (1.46659e-10% change) linmin: converged after 7 iterations. iteration 123: trace = 6.740400274229645 (8.9959e-11% change) Finished solving for bands 1 to 8 after 123 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.387171, 0.548256, 0.676549, 0.800668, 0.989113, 1.05673, 1.21445, 1.27327 elapsed time for k point: 1.1910336017608643 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.787868941618761 (0.213565% change) linmin: converged after 3 iterations. iteration 2: trace = 6.776022098480381 (0.174682% change) linmin: converged after 3 iterations. iteration 3: trace = 6.76992906661587 (0.0899609% change) linmin: converged after 4 iterations. iteration 4: trace = 6.767085857494177 (0.0420064% change) linmin: converged after 4 iterations. iteration 5: trace = 6.765298901818625 (0.0264101% change) linmin: converged after 3 iterations. iteration 6: trace = 6.763340700372273 (0.028949% change) linmin: converged after 4 iterations. iteration 7: trace = 6.760043700357894 (0.04876% change) linmin: converged after 4 iterations. iteration 8: trace = 6.757627087966904 (0.0357549% change) linmin: converged after 4 iterations. iteration 9: trace = 6.754119981759141 (0.051912% change) linmin: converged after 4 iterations. iteration 10: trace = 6.751635252414195 (0.0367951% change) linmin: converged after 4 iterations. iteration 11: trace = 6.749275853760886 (0.0349517% change) linmin: converged after 4 iterations. iteration 12: trace = 6.748513930768448 (0.0112896% change) large trace change predicted (0.0342017%) linmin: converged after 3 iterations. iteration 13: trace = 6.74618277875398 (0.0345492% change) linmin: converged after 3 iterations. iteration 14: trace = 6.744300917410761 (0.0278991% change) linmin: converged after 3 iterations. iteration 15: trace = 6.742003501068925 (0.0340704% change) linmin: converged after 3 iterations. iteration 16: trace = 6.740281226318531 (0.0255487% change) linmin: converged after 3 iterations. iteration 17: trace = 6.739215712577741 (0.0158094% change) linmin: converged after 4 iterations. iteration 18: trace = 6.738862119498992 (0.00524694% change) linmin: converged after 3 iterations. iteration 19: trace = 6.738332341719693 (0.00786184% change) linmin: converged after 3 iterations. iteration 20: trace = 6.73762597786491 (0.0104833% change) linmin: converged after 3 iterations. iteration 21: trace = 6.737211476994393 (0.00615222% change) linmin: converged after 3 iterations. iteration 22: trace = 6.736596718922851 (0.00912523% change) linmin: converged after 3 iterations. iteration 23: trace = 6.736116020675262 (0.00713588% change) linmin: converged after 4 iterations. iteration 24: trace = 6.735569722372651 (0.00811032% change) linmin: converged after 3 iterations. iteration 25: trace = 6.735310736074355 (0.00384513% change) linmin: converged after 3 iterations. iteration 26: trace = 6.734879752491319 (0.00639907% change) linmin: converged after 4 iterations. iteration 27: trace = 6.734393252444057 (0.00722385% change) linmin: converged after 3 iterations. iteration 28: trace = 6.733901766968647 (0.00729841% change) linmin: converged after 3 iterations. iteration 29: trace = 6.733209908076175 (0.0102748% change) linmin: converged after 6 iterations. iteration 30: trace = 6.732349668676493 (0.0127769% change) linmin: converged after 4 iterations. iteration 31: trace = 6.731921925214846 (0.00635376% change) linmin: converged after 3 iterations. iteration 32: trace = 6.73146116644943 (0.00684462% change) linmin: converged after 3 iterations. iteration 33: trace = 6.731024321106626 (0.00648982% change) linmin: converged after 3 iterations. iteration 34: trace = 6.730758298578559 (0.00395226% change) linmin: converged after 3 iterations. iteration 35: trace = 6.730487930056411 (0.00401699% change) linmin: converged after 3 iterations. iteration 36: trace = 6.730155608346905 (0.00493768% change) linmin: converged after 3 iterations. iteration 37: trace = 6.729721105743319 (0.00645626% change) linmin: converged after 5 iterations. iteration 38: trace = 6.729527833788968 (0.00287196% change) linmin: converged after 3 iterations. iteration 39: trace = 6.729325309272428 (0.00300954% change) linmin: converged after 4 iterations. iteration 40: trace = 6.729238825161824 (0.00128519% change) linmin: converged after 3 iterations. iteration 41: trace = 6.729183790569028 (0.000817846% change) linmin: converged after 4 iterations. iteration 42: trace = 6.729120122972619 (0.000946146% change) linmin: converged after 3 iterations. iteration 43: trace = 6.729017043899399 (0.00153185% change) linmin: converged after 3 iterations. iteration 44: trace = 6.728962331353364 (0.000813087% change) linmin: converged after 3 iterations. iteration 45: trace = 6.728906726607305 (0.000826353% change) linmin: converged after 3 iterations. iteration 46: trace = 6.7288674966053 (0.000583009% change) linmin: converged after 3 iterations. iteration 47: trace = 6.728848431854964 (0.000283328% change) linmin: converged after 3 iterations. iteration 48: trace = 6.728839597388681 (0.000131292% change) linmin: converged after 4 iterations. iteration 49: trace = 6.728828037458575 (0.000171797% change) linmin: converged after 5 iterations. iteration 50: trace = 6.728815695933926 (0.000183413% change) linmin: converged after 4 iterations. iteration 51: trace = 6.728808306215958 (0.000109822% change) linmin: converged after 3 iterations. iteration 52: trace = 6.728797313712378 (0.000163365% change) linmin: converged after 3 iterations. iteration 53: trace = 6.728790324696873 (0.000103867% change) linmin: converged after 5 iterations. iteration 54: trace = 6.728785445280219 (7.25155e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.728781936304378 (5.21487e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.728777421827271 (6.70921e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.728774456663765 (4.40669e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.728770671165874 (5.62584e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.728766385179979 (6.36964e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.728759704126928 (9.9291e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 6.728756010862691 (5.48878e-05% change) linmin: converged after 5 iterations. iteration 62: trace = 6.728751331413709 (6.95441e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.728747964603276 (5.00362e-05% change) linmin: converged after 3 iterations. iteration 64: trace = 6.728746081765632 (2.7982e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.728743718559665 (3.51211e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.728741219483796 (3.71403e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 6.728737884044169 (4.95701e-05% change) linmin: converged after 3 iterations. iteration 68: trace = 6.728735364386599 (3.74462e-05% change) linmin: converged after 7 iterations. iteration 69: trace = 6.728731339106885 (5.98223e-05% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.728730345702195 (1.47636e-05% change) linmin: converged after 3 iterations. iteration 71: trace = 6.728729609107984 (1.0947e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.728728724223193 (1.31508e-05% change) linmin: converged after 4 iterations. iteration 73: trace = 6.728727748843896 (1.44957e-05% change) linmin: converged after 3 iterations. iteration 74: trace = 6.728727117814104 (9.37814e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.728726358653099 (1.12824e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 6.72872554741707 (1.20563e-05% change) linmin: converged after 4 iterations. iteration 77: trace = 6.72872509030366 (6.79346e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.728724367522501 (1.07417e-05% change) linmin: converged after 3 iterations. iteration 79: trace = 6.72872358826846 (1.1581e-05% change) linmin: converged after 3 iterations. iteration 80: trace = 6.728722668986204 (1.36621e-05% change) linmin: converged after 3 iterations. iteration 81: trace = 6.728722087340357 (8.64422e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.728721147171524 (1.39725e-05% change) linmin: converged after 4 iterations. iteration 83: trace = 6.728720480061222 (9.91437e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.728720022561202 (6.79921e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.728719590887069 (6.4154e-06% change) linmin: converged after 3 iterations. iteration 86: trace = 6.728719153441071 (6.50118e-06% change) linmin: converged after 4 iterations. iteration 87: trace = 6.728718340009831 (1.20889e-05% change) linmin: converged after 4 iterations. iteration 88: trace = 6.72871740899841 (1.38364e-05% change) linmin: converged after 4 iterations. iteration 89: trace = 6.728717035071343 (5.55718e-06% change) linmin: converged after 5 iterations. iteration 90: trace = 6.728716494418849 (8.035e-06% change) linmin: converged after 3 iterations. iteration 91: trace = 6.728716174161589 (4.75956e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 6.72871587428043 (4.45674e-06% change) linmin: converged after 11 iterations. iteration 93: trace = 6.72871560798205 (3.95764e-06% change) large trace change predicted (1.12239e-05%) linmin: converged after 5 iterations. iteration 94: trace = 6.728714852607432 (1.12261e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 6.728714143438846 (1.05394e-05% change) linmin: converged after 3 iterations. iteration 96: trace = 6.728713790549917 (5.24452e-06% change) linmin: converged after 3 iterations. iteration 97: trace = 6.728713564804392 (3.35496e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 6.728713374895941 (2.82236e-06% change) linmin: converged after 2 iterations. iteration 99: trace = 6.728713158701467 (3.21301e-06% change) linmin: converged after 5 iterations. iteration 100: trace = 6.728713034439581 (1.84674e-06% change) large trace change predicted (4.58133e-06%) linmin: converged after 10 iterations. iteration 101: trace = 6.72871272617565 (4.58132e-06% change) linmin: converged after 5 iterations. iteration 102: trace = 6.728712545133647 (2.69059e-06% change) linmin: converged after 3 iterations. iteration 103: trace = 6.72871245663579 (1.31523e-06% change) linmin: converged after 5 iterations. iteration 104: trace = 6.728712395632627 (9.0661e-07% change) linmin: converged after 18 iterations. iteration 105: trace = 6.728712336928318 (8.72445e-07% change) linmin: converged after 2 iterations. iteration 106: trace = 6.728712234813192 (1.5176e-06% change) linmin: converged after 18 iterations. iteration 107: trace = 6.728712175414977 (8.82758e-07% change) linmin: converged after 5 iterations. iteration 108: trace = 6.728712079897969 (1.41954e-06% change) linmin: converged after 4 iterations. iteration 109: trace = 6.728712039127421 (6.05919e-07% change) linmin: converged after 4 iterations. iteration 110: trace = 6.728712017364623 (3.23432e-07% change) linmin: converged after 3 iterations. iteration 111: trace = 6.728711999663398 (2.6307e-07% change) linmin: converged after 4 iterations. iteration 112: trace = 6.728711988199205 (1.70377e-07% change) large trace change predicted (5.35313e-07%) linmin: converged after 4 iterations. iteration 113: trace = 6.728711952180902 (5.35293e-07% change) linmin: converged after 3 iterations. iteration 114: trace = 6.728711934350375 (2.64992e-07% change) linmin: converged after 9 iterations. iteration 115: trace = 6.728711913892715 (3.04035e-07% change) linmin: converged after 4 iterations. iteration 116: trace = 6.728711900894777 (1.93171e-07% change) linmin: converged after 8 iterations. iteration 117: trace = 6.728711892057472 (1.31337e-07% change) linmin: converged after 6 iterations. iteration 118: trace = 6.728711886381656 (8.43522e-08% change) linmin: converged after 9 iterations. iteration 119: trace = 6.728711875162885 (1.6673e-07% change) linmin: converged after 7 iterations. iteration 120: trace = 6.728711860792624 (2.13566e-07% change) linmin: converged after 2 iterations. iteration 121: trace = 6.728711852035588 (1.30144e-07% change) linmin: converged after 4 iterations. iteration 122: trace = 6.728711846069638 (8.86641e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 6.72871184011905 (8.84358e-08% change) linmin: converged after 4 iterations. iteration 124: trace = 6.728711834492496 (8.36201e-08% change) linmin: converged after 14 iterations. iteration 125: trace = 6.728711831295445 (4.75136e-08% change) large trace change predicted (1.17141e-07%) linmin: converged after 5 iterations. iteration 126: trace = 6.728711823413446 (1.1714e-07% change) linmin: converged after 9 iterations. iteration 127: trace = 6.728711817748645 (8.41885e-08% change) linmin: converged after 18 iterations. iteration 128: trace = 6.728711814569593 (4.72461e-08% change) linmin: converged after 4 iterations. iteration 129: trace = 6.728711812211834 (3.50403e-08% change) large trace change predicted (8.45552e-08%) linmin: converged after 4 iterations. iteration 130: trace = 6.728711806522409 (8.45544e-08% change) large trace change predicted (2.29726e-07%) linmin: converged after 5 iterations. iteration 131: trace = 6.728711791065719 (2.29712e-07% change) linmin: converged after 4 iterations. iteration 132: trace = 6.728711774760903 (2.42317e-07% change) linmin: converged after 4 iterations. iteration 133: trace = 6.728711761604093 (1.95532e-07% change) linmin: converged after 4 iterations. iteration 134: trace = 6.728711750597898 (1.63571e-07% change) large trace change predicted (4.60699e-07%) linmin: converged after 10 iterations. iteration 135: trace = 6.728711719599451 (4.60689e-07% change) linmin: converged after 2 iterations. iteration 136: trace = 6.728711660575756 (8.77192e-07% change) large trace change predicted (2.08552e-06%) linmin: converged after 4 iterations. iteration 137: trace = 6.728711520211803 (2.08605e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 138: trace = 6.728465052028371 (0.003663% change) linmin: converged after 5 iterations. iteration 139: trace = 6.728464202183762 (1.26306e-05% change) resetting CG direction... large trace change predicted (0.0184248%) linmin: converged after 4 iterations. iteration 140: trace = 6.727225670170559 (0.018409% change) linmin: converged after 4 iterations. iteration 141: trace = 6.726387590530656 (0.0124588% change) linmin: converged after 3 iterations. iteration 142: trace = 6.725680184433979 (0.0105174% change) linmin: converged after 4 iterations. iteration 143: trace = 6.724746201346508 (0.0138878% change) linmin: converged after 7 iterations. iteration 144: trace = 6.724256167612527 (0.00728729% change) large trace change predicted (0.0177432%) linmin: converged after 3 iterations. iteration 145: trace = 6.723058136479112 (0.0178181% change) linmin: converged after 3 iterations. iteration 146: trace = 6.721590996713515 (0.0218249% change) linmin: converged after 3 iterations. iteration 147: trace = 6.720496417550089 (0.0162859% change) linmin: converged after 14 iterations. iteration 148: trace = 6.720120980306572 (0.00558661% change) linmin: converged after 3 iterations. iteration 149: trace = 6.719629682860772 (0.00731111% change) linmin: converged after 3 iterations. iteration 150: trace = 6.719110763872809 (0.00772273% change) linmin: converged after 4 iterations. iteration 151: trace = 6.718622998640353 (0.00725964% change) linmin: converged after 4 iterations. iteration 152: trace = 6.717873329396619 (0.0111587% change) linmin: converged after 4 iterations. iteration 153: trace = 6.717203357534577 (0.00997347% change) linmin: converged after 4 iterations. iteration 154: trace = 6.716425495957477 (0.0115808% change) linmin: converged after 3 iterations. iteration 155: trace = 6.716037014926792 (0.00578421% change) linmin: converged after 4 iterations. iteration 156: trace = 6.715270861601974 (0.0114085% change) linmin: converged after 3 iterations. iteration 157: trace = 6.714234395327811 (0.0154357% change) linmin: converged after 4 iterations. iteration 158: trace = 6.713314192592557 (0.0137062% change) linmin: converged after 3 iterations. iteration 159: trace = 6.711854503131645 (0.0217456% change) linmin: converged after 5 iterations. iteration 160: trace = 6.709898602357587 (0.0291452% change) linmin: converged after 4 iterations. iteration 161: trace = 6.707657310593067 (0.0334083% change) linmin: converged after 4 iterations. iteration 162: trace = 6.70652710815731 (0.0168509% change) linmin: converged after 4 iterations. iteration 163: trace = 6.704294987753909 (0.0332883% change) linmin: converged after 6 iterations. iteration 164: trace = 6.702317773522212 (0.0294961% change) linmin: converged after 5 iterations. iteration 165: trace = 6.699271102363946 (0.0454673% change) linmin: converged after 5 iterations. iteration 166: trace = 6.695290056097197 (0.0594427% change) linmin: converged after 7 iterations. iteration 167: trace = 6.691518722870164 (0.056344% change) linmin: converged after 5 iterations. iteration 168: trace = 6.687850703536997 (0.054831% change) linmin: converged after 4 iterations. iteration 169: trace = 6.685975389033564 (0.0280445% change) linmin: converged after 4 iterations. iteration 170: trace = 6.684721883185482 (0.01875% change) linmin: converged after 4 iterations. iteration 171: trace = 6.683252265551213 (0.0219871% change) linmin: converged after 3 iterations. iteration 172: trace = 6.682221944554534 (0.0154176% change) linmin: converged after 3 iterations. iteration 173: trace = 6.681419790185795 (0.012005% change) linmin: converged after 4 iterations. iteration 174: trace = 6.68015895408827 (0.0188726% change) linmin: converged after 4 iterations. iteration 175: trace = 6.678688261946259 (0.0220182% change) linmin: converged after 4 iterations. iteration 176: trace = 6.677398674762745 (0.0193109% change) linmin: converged after 4 iterations. iteration 177: trace = 6.675743896738738 (0.0247848% change) linmin: converged after 4 iterations. iteration 178: trace = 6.673850196175163 (0.0283709% change) linmin: converged after 4 iterations. iteration 179: trace = 6.672013635763772 (0.0275225% change) linmin: converged after 4 iterations. iteration 180: trace = 6.670262185606556 (0.0262541% change) linmin: converged after 4 iterations. iteration 181: trace = 6.669026805118524 (0.0185224% change) linmin: converged after 5 iterations. iteration 182: trace = 6.668049543301572 (0.0146548% change) linmin: converged after 4 iterations. iteration 183: trace = 6.666906768726656 (0.0171395% change) linmin: converged after 5 iterations. iteration 184: trace = 6.665999390113961 (0.0136111% change) linmin: converged after 3 iterations. iteration 185: trace = 6.665499340640187 (0.00750177% change) linmin: converged after 4 iterations. iteration 186: trace = 6.665024495688508 (0.00712418% change) linmin: converged after 3 iterations. iteration 187: trace = 6.664418224479248 (0.00909672% change) linmin: converged after 7 iterations. iteration 188: trace = 6.663924294348037 (0.00741173% change) linmin: converged after 3 iterations. iteration 189: trace = 6.663518663923695 (0.00608715% change) linmin: converged after 3 iterations. iteration 190: trace = 6.663009199644129 (0.00764587% change) linmin: converged after 5 iterations. iteration 191: trace = 6.662347801470429 (0.00992691% change) linmin: converged after 4 iterations. iteration 192: trace = 6.661524813297024 (0.0123536% change) linmin: converged after 4 iterations. iteration 193: trace = 6.660609132042394 (0.0137468% change) linmin: converged after 4 iterations. iteration 194: trace = 6.659930512179589 (0.0101891% change) linmin: converged after 6 iterations. iteration 195: trace = 6.659423967212249 (0.00760615% change) linmin: converged after 5 iterations. iteration 196: trace = 6.658845882317971 (0.00868108% change) linmin: converged after 3 iterations. iteration 197: trace = 6.65833465823114 (0.00767766% change) linmin: converged after 3 iterations. iteration 198: trace = 6.658045818890158 (0.00433811% change) linmin: converged after 3 iterations. iteration 199: trace = 6.657814669536256 (0.00347179% change) linmin: converged after 4 iterations. iteration 200: trace = 6.657518703428868 (0.00444549% change) linmin: converged after 3 iterations. iteration 201: trace = 6.65721478112431 (0.0045652% change) linmin: converged after 5 iterations. iteration 202: trace = 6.656933532200783 (0.00422481% change) linmin: converged after 3 iterations. iteration 203: trace = 6.656587843600366 (0.00519305% change) linmin: converged after 4 iterations. iteration 204: trace = 6.656175076130328 (0.00620108% change) linmin: converged after 3 iterations. iteration 205: trace = 6.655736760430188 (0.00658532% change) linmin: converged after 3 iterations. iteration 206: trace = 6.655282372011525 (0.00682725% change) linmin: converged after 3 iterations. iteration 207: trace = 6.654934601432212 (0.00522562% change) linmin: converged after 3 iterations. iteration 208: trace = 6.654678151045698 (0.00385361% change) linmin: converged after 3 iterations. iteration 209: trace = 6.654370645668481 (0.004621% change) resetting CG direction... large trace change predicted (0.00953096%) linmin: converged after 3 iterations. iteration 210: trace = 6.653734021942329 (0.00956746% change) linmin: converged after 4 iterations. iteration 211: trace = 6.652971331034476 (0.0114633% change) linmin: converged after 4 iterations. iteration 212: trace = 6.652002827476375 (0.0145585% change) linmin: converged after 3 iterations. iteration 213: trace = 6.651286209350241 (0.0107735% change) linmin: converged after 5 iterations. iteration 214: trace = 6.650837271835792 (0.00674986% change) large trace change predicted (0.0193391%) linmin: converged after 3 iterations. iteration 215: trace = 6.649539474461997 (0.0195152% change) linmin: converged after 3 iterations. iteration 216: trace = 6.648510083372565 (0.0154818% change) linmin: converged after 3 iterations. iteration 217: trace = 6.647980339916255 (0.00796817% change) linmin: converged after 3 iterations. iteration 218: trace = 6.647615451110134 (0.00548887% change) linmin: converged after 3 iterations. iteration 219: trace = 6.647091317934905 (0.00788484% change) linmin: converged after 4 iterations. iteration 220: trace = 6.646422541909829 (0.0100617% change) linmin: converged after 4 iterations. iteration 221: trace = 6.645551228482385 (0.0131104% change) linmin: converged after 3 iterations. iteration 222: trace = 6.644472138878054 (0.0162391% change) linmin: converged after 3 iterations. iteration 223: trace = 6.644009893870725 (0.00695708% change) linmin: converged after 4 iterations. iteration 224: trace = 6.643710157708425 (0.00451148% change) linmin: converged after 4 iterations. iteration 225: trace = 6.643375303506406 (0.0050403% change) linmin: converged after 4 iterations. iteration 226: trace = 6.64275621234844 (0.00931936% change) linmin: converged after 3 iterations. iteration 227: trace = 6.642363878543177 (0.00590636% change) linmin: converged after 4 iterations. iteration 228: trace = 6.641680994332497 (0.0102813% change) linmin: converged after 4 iterations. iteration 229: trace = 6.641114758871316 (0.00852585% change) linmin: converged after 3 iterations. iteration 230: trace = 6.64071368687978 (0.00603941% change) linmin: converged after 7 iterations. iteration 231: trace = 6.640434090562495 (0.00421042% change) linmin: converged after 5 iterations. iteration 232: trace = 6.640119211598217 (0.00474196% change) linmin: converged after 6 iterations. iteration 233: trace = 6.639902046612212 (0.00327055% change) linmin: converged after 4 iterations. iteration 234: trace = 6.63957501130691 (0.00492542% change) linmin: converged after 7 iterations. iteration 235: trace = 6.639325072147652 (0.00376446% change) linmin: converged after 4 iterations. iteration 236: trace = 6.639218484211825 (0.00160542% change) linmin: converged after 5 iterations. iteration 237: trace = 6.639148710078965 (0.00105094% change) linmin: converged after 6 iterations. iteration 238: trace = 6.639067895394519 (0.00121725% change) linmin: converged after 4 iterations. iteration 239: trace = 6.639016127198259 (0.000779754% change) linmin: converged after 4 iterations. iteration 240: trace = 6.638968472542567 (0.0007178% change) linmin: converged after 4 iterations. iteration 241: trace = 6.63889603719281 (0.00109107% change) linmin: converged after 7 iterations. iteration 242: trace = 6.638849856045798 (0.000695617% change) linmin: converged after 3 iterations. iteration 243: trace = 6.63881574346586 (0.000513834% change) linmin: converged after 8 iterations. iteration 244: trace = 6.638799478784 (0.000244994% change) linmin: converged after 3 iterations. iteration 245: trace = 6.638789010025883 (0.000157691% change) linmin: converged after 3 iterations. iteration 246: trace = 6.638782676455686 (9.54025e-05% change) linmin: converged after 3 iterations. iteration 247: trace = 6.638771442919003 (0.000169211% change) linmin: converged after 5 iterations. iteration 248: trace = 6.63876396797207 (0.000112595% change) linmin: converged after 4 iterations. iteration 249: trace = 6.638757041238585 (0.000104338% change) linmin: converged after 4 iterations. iteration 250: trace = 6.63875181895463 (7.86636e-05% change) linmin: converged after 4 iterations. iteration 251: trace = 6.638748272687267 (5.34177e-05% change) linmin: converged after 4 iterations. iteration 252: trace = 6.638746723847516 (2.33303e-05% change) linmin: converged after 3 iterations. iteration 253: trace = 6.638744550600101 (3.27358e-05% change) linmin: converged after 3 iterations. iteration 254: trace = 6.638743112142956 (2.16676e-05% change) linmin: converged after 3 iterations. iteration 255: trace = 6.638741274188764 (2.76853e-05% change) linmin: converged after 16 iterations. iteration 256: trace = 6.638739467298501 (2.72174e-05% change) linmin: converged after 4 iterations. iteration 257: trace = 6.638738349202688 (1.6842e-05% change) linmin: converged after 6 iterations. iteration 258: trace = 6.638737835689367 (7.7351e-06% change) linmin: converged after 3 iterations. iteration 259: trace = 6.638737218899633 (9.29077e-06% change) linmin: converged after 3 iterations. iteration 260: trace = 6.638736854734873 (5.48545e-06% change) linmin: converged after 3 iterations. iteration 261: trace = 6.63873627690166 (8.70396e-06% change) linmin: converged after 16 iterations. iteration 262: trace = 6.638735729089737 (8.25175e-06% change) linmin: converged after 4 iterations. iteration 263: trace = 6.6387352553989 (7.13526e-06% change) linmin: converged after 5 iterations. iteration 264: trace = 6.638735054672749 (3.02356e-06% change) linmin: converged after 5 iterations. iteration 265: trace = 6.638734869417193 (2.79052e-06% change) linmin: converged after 6 iterations. iteration 266: trace = 6.638734731754969 (2.07362e-06% change) linmin: converged after 16 iterations. iteration 267: trace = 6.638734628724432 (1.55196e-06% change) linmin: converged after 16 iterations. iteration 268: trace = 6.638734462768283 (2.49982e-06% change) linmin: converged after 16 iterations. iteration 269: trace = 6.638734304607528 (2.38239e-06% change) linmin: converged after 7 iterations. iteration 270: trace = 6.638734216530693 (1.32671e-06% change) linmin: converged after 5 iterations. iteration 271: trace = 6.638734134679857 (1.23293e-06% change) linmin: converged after 5 iterations. iteration 272: trace = 6.638734089154566 (6.85753e-07% change) linmin: converged after 6 iterations. iteration 273: trace = 6.638734054364789 (5.24042e-07% change) linmin: converged after 4 iterations. iteration 274: trace = 6.63873399397008 (9.09732e-07% change) linmin: converged after 7 iterations. iteration 275: trace = 6.638733923635748 (1.05945e-06% change) linmin: converged after 4 iterations. iteration 276: trace = 6.638733868929354 (8.24049e-07% change) linmin: converged after 8 iterations. iteration 277: trace = 6.638733816587413 (7.88433e-07% change) linmin: converged after 7 iterations. iteration 278: trace = 6.638733780054953 (5.50293e-07% change) linmin: converged after 5 iterations. iteration 279: trace = 6.638733762993164 (2.57004e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 280: trace = 6.638733753319537 (1.45715e-07% change) linmin: converged after 8 iterations. iteration 281: trace = 6.638733739343934 (2.10516e-07% change) linmin: converged after 4 iterations. iteration 282: trace = 6.638733714968705 (3.67167e-07% change) linmin: converged after 5 iterations. iteration 283: trace = 6.638733697635013 (2.61099e-07% change) linmin: converged after 4 iterations. iteration 284: trace = 6.638733679257065 (2.76829e-07% change) linmin: converged after 3 iterations. iteration 285: trace = 6.638733663313102 (2.40166e-07% change) linmin: converged after 5 iterations. iteration 286: trace = 6.638733649720824 (2.04742e-07% change) linmin: converged after 4 iterations. iteration 287: trace = 6.638733642397483 (1.10312e-07% change) large trace change predicted (3.06615e-07%) linmin: converged after 4 iterations. iteration 288: trace = 6.638733622042839 (3.06604e-07% change) linmin: converged after 11 iterations. iteration 289: trace = 6.638733598840012 (3.49507e-07% change) linmin: converged after 3 iterations. iteration 290: trace = 6.638733576526505 (3.36111e-07% change) linmin: converged after 5 iterations. iteration 291: trace = 6.638733563837013 (1.91143e-07% change) linmin: converged after 5 iterations. iteration 292: trace = 6.638733549820286 (2.11136e-07% change) linmin: converged after 4 iterations. iteration 293: trace = 6.638733541093235 (1.31457e-07% change) linmin: converged after 6 iterations. iteration 294: trace = 6.638733535467152 (8.47463e-08% change) linmin: converged after 3 iterations. iteration 295: trace = 6.638733526098875 (1.41115e-07% change) linmin: converged after 7 iterations. iteration 296: trace = 6.638733515386362 (1.61364e-07% change) linmin: converged after 5 iterations. iteration 297: trace = 6.638733504209687 (1.68356e-07% change) linmin: converged after 6 iterations. iteration 298: trace = 6.638733499493042 (7.10474e-08% change) linmin: converged after 6 iterations. iteration 299: trace = 6.638733493647839 (8.8047e-08% change) linmin: converged after 14 iterations. iteration 300: trace = 6.638733488792827 (7.31316e-08% change) linmin: converged after 22 iterations. iteration 301: trace = 6.638733482768131 (9.07507e-08% change) linmin: converged after 6 iterations. iteration 302: trace = 6.638733478266698 (6.78056e-08% change) linmin: converged after 4 iterations. iteration 303: trace = 6.638733471761608 (9.79869e-08% change) linmin: converged after 4 iterations. iteration 304: trace = 6.638733467798773 (5.96926e-08% change) linmin: converged after 4 iterations. iteration 305: trace = 6.638733466611077 (1.78904e-08% change) linmin: converged after 7 iterations. iteration 306: trace = 6.638733465224359 (2.08883e-08% change) linmin: converged after 4 iterations. iteration 307: trace = 6.638733463533532 (2.54691e-08% change) linmin: converged after 4 iterations. iteration 308: trace = 6.638733461458933 (3.12499e-08% change) linmin: converged after 4 iterations. iteration 309: trace = 6.638733459683483 (2.67438e-08% change) linmin: converged after 8 iterations. iteration 310: trace = 6.638733459151364 (8.01536e-09% change) linmin: converged after 2 iterations. iteration 311: trace = 6.638733458305864 (1.27359e-08% change) linmin: converged after 8 iterations. iteration 312: trace = 6.638733457933458 (5.6096e-09% change) linmin: converged after 17 iterations. iteration 313: trace = 6.638733457618706 (4.74114e-09% change) linmin: converged after 4 iterations. iteration 314: trace = 6.638733457246565 (5.6056e-09% change) linmin: converged after 4 iterations. iteration 315: trace = 6.63873345662853 (9.30954e-09% change) linmin: converged after 27 iterations. iteration 316: trace = 6.638733456168647 (6.92727e-09% change) linmin: converged after 6 iterations. iteration 317: trace = 6.638733456016138 (2.29726e-09% change) linmin: converged after 3 iterations. iteration 318: trace = 6.63873345592733 (1.33773e-09% change) linmin: converged after 3 iterations. iteration 319: trace = 6.638733455861431 (9.92635e-10% change) linmin: converged after 4 iterations. iteration 320: trace = 6.638733455788412 (1.09991e-09% change) linmin: converged after 4 iterations. iteration 321: trace = 6.63873345572871 (8.99292e-10% change) linmin: converged after 10 iterations. iteration 322: trace = 6.638733455645148 (1.25871e-09% change) linmin: converged after 4 iterations. iteration 323: trace = 6.638733455573155 (1.08444e-09% change) linmin: converged after 4 iterations. iteration 324: trace = 6.638733455556595 (2.49433e-10% change) linmin: converged after 4 iterations. iteration 325: trace = 6.638733455540329 (2.45018e-10% change) linmin: converged after 2 iterations. iteration 326: trace = 6.638733455526417 (2.09564e-10% change) linmin: converged after 6 iterations. iteration 327: trace = 6.638733455512361 (2.11718e-10% change) linmin: converged after 6 iterations. iteration 328: trace = 6.638733455504184 (1.23178e-10% change) linmin: converged after 4 iterations. iteration 329: trace = 6.638733455491636 (1.89015e-10% change) linmin: converged after 4 iterations. iteration 330: trace = 6.638733455483589 (1.21211e-10% change) linmin: converged after 3 iterations. iteration 331: trace = 6.638733455480923 (4.0163e-11% change) Finished solving for bands 1 to 8 after 331 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.407624, 0.596325, 0.643243, 0.739976, 1.03397, 1.05588, 1.19281, 1.24454 elapsed time for k point: 2.8845019340515137 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.6260576636651 (0.100231% change) linmin: converged after 4 iterations. iteration 2: trace = 6.622613155506363 (0.0519978% change) linmin: converged after 3 iterations. iteration 3: trace = 6.620673763192594 (0.0292887% change) linmin: converged after 3 iterations. iteration 4: trace = 6.61959770366671 (0.0162543% change) linmin: converged after 3 iterations. iteration 5: trace = 6.618315111654894 (0.0193776% change) linmin: converged after 3 iterations. iteration 6: trace = 6.617219287554234 (0.0165588% change) linmin: converged after 4 iterations. iteration 7: trace = 6.615295861087446 (0.0290712% change) linmin: converged after 5 iterations. iteration 8: trace = 6.61417947717352 (0.0168772% change) linmin: converged after 3 iterations. iteration 9: trace = 6.613750797582683 (0.00648143% change) linmin: converged after 4 iterations. iteration 10: trace = 6.613492236553606 (0.00390952% change) linmin: converged after 3 iterations. iteration 11: trace = 6.613099997166025 (0.00593107% change) linmin: converged after 3 iterations. iteration 12: trace = 6.612508104554861 (0.00895071% change) linmin: converged after 3 iterations. iteration 13: trace = 6.611911604270607 (0.00902119% change) linmin: converged after 4 iterations. iteration 14: trace = 6.611621979155153 (0.00438045% change) linmin: converged after 5 iterations. iteration 15: trace = 6.61152879743824 (0.00140937% change) linmin: converged after 10 iterations. iteration 16: trace = 6.611478379688956 (0.000762576% change) linmin: converged after 3 iterations. iteration 17: trace = 6.611426401150281 (0.000786189% change) linmin: converged after 3 iterations. iteration 18: trace = 6.611356799138305 (0.00105276% change) linmin: converged after 3 iterations. iteration 19: trace = 6.611309368452345 (0.000717415% change) linmin: converged after 3 iterations. iteration 20: trace = 6.611236277861248 (0.00110554% change) linmin: converged after 3 iterations. iteration 21: trace = 6.611184239585778 (0.000787122% change) linmin: converged after 3 iterations. iteration 22: trace = 6.611157390189376 (0.000406122% change) linmin: converged after 4 iterations. iteration 23: trace = 6.611149760151916 (0.000115412% change) linmin: converged after 3 iterations. iteration 24: trace = 6.611137418040058 (0.000186686% change) linmin: converged after 6 iterations. iteration 25: trace = 6.611117109453347 (0.000307188% change) linmin: converged after 3 iterations. iteration 26: trace = 6.611106886969172 (0.000154626% change) linmin: converged after 4 iterations. iteration 27: trace = 6.611093350464097 (0.000204754% change) linmin: converged after 3 iterations. iteration 28: trace = 6.611088832489158 (6.83393e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.611086831710893 (3.0264e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 6.611085128689046 (2.57601e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.611082646624049 (3.7544e-05% change) linmin: converged after 3 iterations. iteration 32: trace = 6.611078563754775 (6.1758e-05% change) linmin: converged after 3 iterations. iteration 33: trace = 6.611077155520979 (2.13011e-05% change) linmin: converged after 3 iterations. iteration 34: trace = 6.611075809232332 (2.03641e-05% change) linmin: converged after 4 iterations. iteration 35: trace = 6.611075193893146 (9.3077e-06% change) linmin: converged after 6 iterations. iteration 36: trace = 6.611074698949416 (7.48658e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.611074407602309 (4.40696e-06% change) large trace change predicted (9.33395e-06%) linmin: converged after 7 iterations. iteration 38: trace = 6.611073790566093 (9.33337e-06% change) linmin: converged after 3 iterations. iteration 39: trace = 6.611073203340129 (8.88246e-06% change) linmin: converged after 3 iterations. iteration 40: trace = 6.611073052510149 (2.28147e-06% change) linmin: converged after 23 iterations. iteration 41: trace = 6.611072941966639 (1.6721e-06% change) linmin: converged after 3 iterations. iteration 42: trace = 6.611072860997261 (1.22475e-06% change) linmin: converged after 3 iterations. iteration 43: trace = 6.611072808574963 (7.92947e-07% change) linmin: converged after 9 iterations. iteration 44: trace = 6.611072776016216 (4.92488e-07% change) linmin: converged after 11 iterations. iteration 45: trace = 6.611072738164962 (5.72543e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 6.611072698871501 (5.94358e-07% change) linmin: converged after 11 iterations. iteration 47: trace = 6.611072683715105 (2.29258e-07% change) linmin: converged after 12 iterations. iteration 48: trace = 6.611072672234465 (1.73658e-07% change) linmin: converged after 3 iterations. iteration 49: trace = 6.611072662758118 (1.43341e-07% change) linmin: converged after 4 iterations. iteration 50: trace = 6.611072656974429 (8.74849e-08% change) linmin: converged after 6 iterations. iteration 51: trace = 6.611072652150455 (7.29681e-08% change) linmin: converged after 11 iterations. iteration 52: trace = 6.6110726464698 (8.59264e-08% change) linmin: converged after 3 iterations. iteration 53: trace = 6.611072641173973 (8.01054e-08% change) linmin: converged after 4 iterations. iteration 54: trace = 6.611072640190232 (1.48802e-08% change) linmin: converged after 13 iterations. iteration 55: trace = 6.611072639602208 (8.89454e-09% change) linmin: converged after 18 iterations. iteration 56: trace = 6.611072639215561 (5.84848e-09% change) linmin: converged after 19 iterations. iteration 57: trace = 6.611072638759536 (6.89789e-09% change) linmin: converged after 9 iterations. iteration 58: trace = 6.611072638475058 (4.30306e-09% change) linmin: converged after 24 iterations. iteration 59: trace = 6.611072638036691 (6.6308e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 6.611072637785712 (3.79634e-09% change) linmin: converged after 23 iterations. iteration 61: trace = 6.611072637654464 (1.98527e-09% change) linmin: converged after 8 iterations. iteration 62: trace = 6.611072637585958 (1.03623e-09% change) linmin: converged after 10 iterations. iteration 63: trace = 6.611072637534597 (7.76902e-10% change) linmin: converged after 5 iterations. iteration 64: trace = 6.611072637495156 (5.96582e-10% change) linmin: converged after 5 iterations. iteration 65: trace = 6.611072637473903 (3.21479e-10% change) large trace change predicted (1.05746e-09%) linmin: converged after 7 iterations. iteration 66: trace = 6.611072637403989 (1.05753e-09% change) linmin: converged after 5 iterations. iteration 67: trace = 6.611072637378327 (3.88169e-10% change) linmin: converged after 10 iterations. iteration 68: trace = 6.611072637366791 (1.7449e-10% change) linmin: converged after 3 iterations. iteration 69: trace = 6.611072637361785 (7.57315e-11% change) Finished solving for bands 1 to 8 after 69 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.416529, 0.630179, 0.63018, 0.701793, 1.05575, 1.05575, 1.17509, 1.24128 elapsed time for k point: 0.5237686634063721 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.696548452574453 (0.194448% change) linmin: converged after 3 iterations. iteration 2: trace = 6.68934246550691 (0.107665% change) linmin: converged after 3 iterations. iteration 3: trace = 6.684968588109188 (0.0654071% change) linmin: converged after 4 iterations. iteration 4: trace = 6.682654417949922 (0.0346235% change) linmin: converged after 3 iterations. iteration 5: trace = 6.680578974781489 (0.031062% change) linmin: converged after 4 iterations. iteration 6: trace = 6.677750730955622 (0.0423443% change) linmin: converged after 3 iterations. iteration 7: trace = 6.674361515953921 (0.0507667% change) linmin: converged after 4 iterations. iteration 8: trace = 6.672549249849368 (0.0271563% change) linmin: converged after 4 iterations. iteration 9: trace = 6.670357073705703 (0.0328591% change) linmin: converged after 4 iterations. iteration 10: trace = 6.669034273193324 (0.019833% change) linmin: converged after 3 iterations. iteration 11: trace = 6.667931878740369 (0.0165314% change) linmin: converged after 4 iterations. iteration 12: trace = 6.667446347570774 (0.00728185% change) large trace change predicted (0.0240835%) linmin: converged after 4 iterations. iteration 13: trace = 6.665843395724869 (0.0240444% change) linmin: converged after 3 iterations. iteration 14: trace = 6.664868522369391 (0.014626% change) linmin: converged after 3 iterations. iteration 15: trace = 6.663981786838425 (0.0133055% change) linmin: converged after 3 iterations. iteration 16: trace = 6.663285117050775 (0.0104548% change) linmin: converged after 4 iterations. iteration 17: trace = 6.662813208995669 (0.00708246% change) linmin: converged after 3 iterations. iteration 18: trace = 6.662657367837145 (0.002339% change) linmin: converged after 3 iterations. iteration 19: trace = 6.662510138456993 (0.00220979% change) large trace change predicted (0.00524066%) linmin: converged after 3 iterations. iteration 20: trace = 6.662160849172216 (0.00524275% change) linmin: converged after 4 iterations. iteration 21: trace = 6.6619742098717 (0.00280152% change) linmin: converged after 4 iterations. iteration 22: trace = 6.661701520712338 (0.0040933% change) linmin: converged after 4 iterations. iteration 23: trace = 6.661499720848783 (0.0030293% change) linmin: converged after 3 iterations. iteration 24: trace = 6.661401436788111 (0.00147542% change) linmin: converged after 3 iterations. iteration 25: trace = 6.661330968882906 (0.00105786% change) linmin: converged after 4 iterations. iteration 26: trace = 6.661273357507079 (0.000864867% change) linmin: converged after 6 iterations. iteration 27: trace = 6.661214838038512 (0.000878507% change) linmin: converged after 4 iterations. iteration 28: trace = 6.661157759357232 (0.000856885% change) linmin: converged after 4 iterations. iteration 29: trace = 6.661112661270185 (0.000677033% change) linmin: converged after 13 iterations. iteration 30: trace = 6.661070300428092 (0.000635944% change) linmin: converged after 5 iterations. iteration 31: trace = 6.661058307974867 (0.000180038% change) linmin: converged after 3 iterations. iteration 32: trace = 6.661042292604195 (0.000240433% change) linmin: converged after 3 iterations. iteration 33: trace = 6.661028283391409 (0.000210316% change) linmin: converged after 3 iterations. iteration 34: trace = 6.661012969908079 (0.000229897% change) linmin: converged after 3 iterations. iteration 35: trace = 6.661000272792445 (0.000190619% change) linmin: converged after 3 iterations. iteration 36: trace = 6.660981057700925 (0.000288472% change) linmin: converged after 3 iterations. iteration 37: trace = 6.660974846350101 (9.32498e-05% change) linmin: converged after 3 iterations. iteration 38: trace = 6.660970536537528 (6.47025e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 6.660965329883129 (7.81666e-05% change) linmin: converged after 5 iterations. iteration 40: trace = 6.660960399141092 (7.40245e-05% change) linmin: converged after 9 iterations. iteration 41: trace = 6.660955690692173 (7.06873e-05% change) linmin: converged after 3 iterations. iteration 42: trace = 6.660951410711075 (6.42548e-05% change) linmin: converged after 4 iterations. iteration 43: trace = 6.660948058569119 (5.03253e-05% change) linmin: converged after 7 iterations. iteration 44: trace = 6.660947085941372 (1.46019e-05% change) large trace change predicted (2.98581e-05%) linmin: converged after 3 iterations. iteration 45: trace = 6.660945097034071 (2.98592e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 6.660943821783676 (1.91452e-05% change) linmin: converged after 3 iterations. iteration 47: trace = 6.660942440495745 (2.07371e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.660941469353187 (1.45797e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 6.660940204101015 (1.89951e-05% change) linmin: converged after 6 iterations. iteration 50: trace = 6.660939460724643 (1.11602e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.66093894801723 (7.69722e-06% change) linmin: converged after 3 iterations. iteration 52: trace = 6.660938435135448 (7.69984e-06% change) linmin: converged after 3 iterations. iteration 53: trace = 6.660938003142447 (6.48547e-06% change) linmin: converged after 5 iterations. iteration 54: trace = 6.66093769090408 (4.6876e-06% change) linmin: converged after 3 iterations. iteration 55: trace = 6.66093725847799 (6.49197e-06% change) linmin: converged after 4 iterations. iteration 56: trace = 6.660937080980935 (2.66475e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 6.660937039755714 (6.1891e-07% change) linmin: converged after 4 iterations. iteration 58: trace = 6.660936992661449 (7.07022e-07% change) linmin: converged after 3 iterations. iteration 59: trace = 6.660936943514294 (7.37841e-07% change) linmin: converged after 8 iterations. iteration 60: trace = 6.660936890542162 (7.95265e-07% change) linmin: converged after 2 iterations. iteration 61: trace = 6.660936833462838 (8.56926e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 6.660936777950853 (8.33396e-07% change) linmin: converged after 4 iterations. iteration 63: trace = 6.660936765941797 (1.80291e-07% change) linmin: converged after 2 iterations. iteration 64: trace = 6.660936755015155 (1.64041e-07% change) linmin: converged after 6 iterations. iteration 65: trace = 6.660936746504003 (1.27777e-07% change) linmin: converged after 4 iterations. iteration 66: trace = 6.660936740708101 (8.70133e-08% change) linmin: converged after 4 iterations. iteration 67: trace = 6.660936737168779 (5.31355e-08% change) linmin: converged after 4 iterations. iteration 68: trace = 6.660936730929 (9.36772e-08% change) linmin: converged after 9 iterations. iteration 69: trace = 6.660936726671792 (6.39131e-08% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.660936725038566 (2.45195e-08% change) linmin: converged after 2 iterations. iteration 71: trace = 6.660936723757438 (1.92334e-08% change) linmin: converged after 6 iterations. iteration 72: trace = 6.660936722379987 (2.06795e-08% change) linmin: converged after 33 iterations. iteration 73: trace = 6.66093672137998 (1.5013e-08% change) linmin: converged after 4 iterations. iteration 74: trace = 6.660936720551226 (1.2442e-08% change) linmin: converged after 4 iterations. iteration 75: trace = 6.660936719202968 (2.02413e-08% change) linmin: converged after 4 iterations. iteration 76: trace = 6.660936718301423 (1.35348e-08% change) linmin: converged after 18 iterations. iteration 77: trace = 6.660936717516629 (1.1782e-08% change) linmin: converged after 15 iterations. iteration 78: trace = 6.660936716875789 (9.62086e-09% change) linmin: converged after 25 iterations. iteration 79: trace = 6.660936716382007 (7.4131e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 6.660936716199179 (2.74479e-09% change) linmin: converged after 4 iterations. iteration 81: trace = 6.660936715851733 (5.21617e-09% change) linmin: converged after 22 iterations. iteration 82: trace = 6.660936715504791 (5.20861e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 6.660936715305027 (2.99903e-09% change) linmin: converged after 27 iterations. iteration 84: trace = 6.66093671508835 (3.25296e-09% change) linmin: converged after 5 iterations. iteration 85: trace = 6.660936714937364 (2.26674e-09% change) linmin: converged after 9 iterations. iteration 86: trace = 6.660936714833896 (1.55336e-09% change) linmin: converged after 3 iterations. iteration 87: trace = 6.660936714747509 (1.29692e-09% change) linmin: converged after 6 iterations. iteration 88: trace = 6.660936714695935 (7.74273e-10% change) linmin: converged after 6 iterations. iteration 89: trace = 6.660936714617487 (1.17772e-09% change) linmin: converged after 18 iterations. iteration 90: trace = 6.66093671457714 (6.0573e-10% change) linmin: converged after 7 iterations. iteration 91: trace = 6.660936714542649 (5.17818e-10% change) linmin: converged after 19 iterations. iteration 92: trace = 6.66093671452329 (2.90631e-10% change) linmin: converged after 6 iterations. iteration 93: trace = 6.660936714512652 (1.59703e-10% change) linmin: converged after 23 iterations. iteration 94: trace = 6.660936714494253 (2.7623e-10% change) linmin: converged after 4 iterations. iteration 95: trace = 6.660936714476417 (2.67763e-10% change) linmin: converged after 4 iterations. iteration 96: trace = 6.660936714462952 (2.02146e-10% change) linmin: converged after 6 iterations. iteration 97: trace = 6.660936714455913 (1.05686e-10% change) linmin: converged after 3 iterations. iteration 98: trace = 6.660936714447594 (1.24888e-10% change) linmin: converged after 4 iterations. iteration 99: trace = 6.660936714441473 (9.18989e-11% change) Finished solving for bands 1 to 8 after 99 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.39535, 0.591668, 0.641198, 0.766761, 1.02252, 1.04927, 1.20755, 1.24532 elapsed time for k point: 0.6464877128601074 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.828693365824004 (0.258209% change) linmin: converged after 4 iterations. iteration 2: trace = 6.81491531333085 (0.201971% change) linmin: converged after 4 iterations. iteration 3: trace = 6.803492943791591 (0.167749% change) linmin: converged after 4 iterations. iteration 4: trace = 6.798487715310334 (0.0735956% change) linmin: converged after 4 iterations. iteration 5: trace = 6.793362049054725 (0.0754226% change) linmin: converged after 4 iterations. iteration 6: trace = 6.785739546110888 (0.112268% change) linmin: converged after 4 iterations. iteration 7: trace = 6.782649098280649 (0.0455536% change) large trace change predicted (0.100602%) linmin: converged after 4 iterations. iteration 8: trace = 6.775937084960444 (0.0990076% change) linmin: converged after 4 iterations. iteration 9: trace = 6.767502319495193 (0.124559% change) linmin: converged after 5 iterations. iteration 10: trace = 6.763226777760307 (0.0631975% change) linmin: converged after 4 iterations. iteration 11: trace = 6.757059804096025 (0.0912255% change) linmin: converged after 3 iterations. iteration 12: trace = 6.751376539552863 (0.0841439% change) linmin: converged after 3 iterations. iteration 13: trace = 6.749201093205061 (0.0322275% change) large trace change predicted (0.0987653%) linmin: converged after 4 iterations. iteration 14: trace = 6.742591395271164 (0.097981% change) linmin: converged after 3 iterations. iteration 15: trace = 6.740640520736622 (0.0289378% change) linmin: converged after 4 iterations. iteration 16: trace = 6.737712722144593 (0.0434445% change) linmin: converged after 4 iterations. iteration 17: trace = 6.73452098326382 (0.0473825% change) linmin: converged after 4 iterations. iteration 18: trace = 6.732582978654195 (0.0287813% change) linmin: converged after 4 iterations. iteration 19: trace = 6.729242279218445 (0.0496322% change) linmin: converged after 4 iterations. iteration 20: trace = 6.728109380356157 (0.0168369% change) linmin: converged after 3 iterations. iteration 21: trace = 6.726644100330462 (0.0217809% change) linmin: converged after 4 iterations. iteration 22: trace = 6.725872586664417 (0.0114702% change) linmin: converged after 3 iterations. iteration 23: trace = 6.725359747865309 (0.00762516% change) linmin: converged after 21 iterations. iteration 24: trace = 6.724756270469366 (0.00897356% change) linmin: converged after 4 iterations. iteration 25: trace = 6.724231366871892 (0.00780585% change) linmin: converged after 4 iterations. iteration 26: trace = 6.723530396492713 (0.0104251% change) linmin: converged after 4 iterations. iteration 27: trace = 6.723053589910712 (0.00709186% change) linmin: converged after 4 iterations. iteration 28: trace = 6.722658831569981 (0.00587188% change) linmin: converged after 5 iterations. iteration 29: trace = 6.722318025801377 (0.00506964% change) linmin: converged after 3 iterations. iteration 30: trace = 6.722110957479178 (0.00308036% change) linmin: converged after 3 iterations. iteration 31: trace = 6.721805734272037 (0.00454069% change) linmin: converged after 3 iterations. iteration 32: trace = 6.721654561005488 (0.00224902% change) linmin: converged after 3 iterations. iteration 33: trace = 6.721517311503868 (0.00204192% change) linmin: converged after 3 iterations. iteration 34: trace = 6.721358449047066 (0.00236352% change) linmin: converged after 3 iterations. iteration 35: trace = 6.721272068097353 (0.00128518% change) linmin: converged after 3 iterations. iteration 36: trace = 6.721179708634331 (0.00137415% change) linmin: converged after 6 iterations. iteration 37: trace = 6.721123311312419 (0.000839102% change) linmin: converged after 5 iterations. iteration 38: trace = 6.721064014980577 (0.000882242% change) linmin: converged after 3 iterations. iteration 39: trace = 6.720970932018229 (0.00138495% change) linmin: converged after 6 iterations. iteration 40: trace = 6.720931124316433 (0.000592293% change) large trace change predicted (0.00161295%) linmin: converged after 3 iterations. iteration 41: trace = 6.720822629671658 (0.00161429% change) linmin: converged after 4 iterations. iteration 42: trace = 6.72079846265409 (0.000359585% change) large trace change predicted (0.00072696%) linmin: converged after 5 iterations. iteration 43: trace = 6.720749736141956 (0.000725013% change) linmin: converged after 6 iterations. iteration 44: trace = 6.72072260233406 (0.000403733% change) linmin: converged after 9 iterations. iteration 45: trace = 6.72070519794796 (0.000258966% change) large trace change predicted (0.000642169%) linmin: converged after 6 iterations. iteration 46: trace = 6.720662129158626 (0.000640839% change) linmin: converged after 3 iterations. iteration 47: trace = 6.720647159202968 (0.000222745% change) linmin: converged after 4 iterations. iteration 48: trace = 6.720620434442544 (0.000397652% change) linmin: converged after 4 iterations. iteration 49: trace = 6.720599312394453 (0.000314288% change) linmin: converged after 3 iterations. iteration 50: trace = 6.720588138740021 (0.00016626% change) linmin: converged after 3 iterations. iteration 51: trace = 6.720572437757358 (0.000233625% change) linmin: converged after 3 iterations. iteration 52: trace = 6.720560502977415 (0.000177586% change) linmin: converged after 5 iterations. iteration 53: trace = 6.720550779021665 (0.00014469% change) linmin: converged after 3 iterations. iteration 54: trace = 6.72054201605287 (0.000130391% change) linmin: converged after 5 iterations. iteration 55: trace = 6.720538072124155 (5.86847e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.720533815636847 (6.33355e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.720531117060512 (4.01542e-05% change) linmin: converged after 3 iterations. iteration 58: trace = 6.720527587293265 (5.25222e-05% change) linmin: converged after 4 iterations. iteration 59: trace = 6.720523743289104 (5.7198e-05% change) linmin: converged after 3 iterations. iteration 60: trace = 6.720520452342011 (4.89686e-05% change) linmin: converged after 4 iterations. iteration 61: trace = 6.720515636146466 (7.16641e-05% change) linmin: converged after 11 iterations. iteration 62: trace = 6.720513695801111 (2.8872e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.720511339817818 (3.50566e-05% change) linmin: converged after 2 iterations. iteration 64: trace = 6.720510233758202 (1.6458e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.7205095257317 (1.05353e-05% change) linmin: converged after 2 iterations. iteration 66: trace = 6.720508403500634 (1.66986e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.720507795705634 (9.04388e-06% change) large trace change predicted (2.55121e-05%) linmin: converged after 4 iterations. iteration 68: trace = 6.720506081209342 (2.55114e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 6.720505166233876 (1.36147e-05% change) resetting CG direction... linmin: converged after 4 iterations. iteration 70: trace = 6.720504632564524 (7.94091e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.720503757921638 (1.30145e-05% change) linmin: converged after 3 iterations. iteration 72: trace = 6.720503155132286 (8.96941e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.720502825006813 (4.91221e-06% change) linmin: converged after 3 iterations. iteration 74: trace = 6.720502267138848 (8.30099e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.72050161821459 (9.65589e-06% change) linmin: converged after 3 iterations. iteration 76: trace = 6.720501329636397 (4.294e-06% change) linmin: converged after 3 iterations. iteration 77: trace = 6.720500923073919 (6.04959e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.7205004497822 (7.04251e-06% change) linmin: converged after 3 iterations. iteration 79: trace = 6.720500091190194 (5.33579e-06% change) linmin: converged after 3 iterations. iteration 80: trace = 6.720499710770521 (5.66059e-06% change) linmin: converged after 7 iterations. iteration 81: trace = 6.720499408715081 (4.49454e-06% change) linmin: converged after 4 iterations. iteration 82: trace = 6.720499351491902 (8.51472e-07% change) linmin: converged after 7 iterations. iteration 83: trace = 6.720499245520994 (1.57683e-06% change) linmin: converged after 4 iterations. iteration 84: trace = 6.720499132663288 (1.67931e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 6.720498947976651 (2.74811e-06% change) linmin: converged after 8 iterations. iteration 86: trace = 6.720498868915341 (1.17642e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.720498762222831 (1.58757e-06% change) linmin: converged after 2 iterations. iteration 88: trace = 6.720498674231538 (1.3093e-06% change) linmin: converged after 5 iterations. iteration 89: trace = 6.720498653875839 (3.0289e-07% change) linmin: converged after 4 iterations. iteration 90: trace = 6.720498625620474 (4.20436e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.720498602840975 (3.38955e-07% change) linmin: converged after 18 iterations. iteration 92: trace = 6.720498591264342 (1.72259e-07% change) large trace change predicted (4.49888e-07%) linmin: converged after 4 iterations. iteration 93: trace = 6.720498561030472 (4.49875e-07% change) linmin: converged after 3 iterations. iteration 94: trace = 6.720498532165731 (4.29503e-07% change) linmin: converged after 3 iterations. iteration 95: trace = 6.720498516270226 (2.36523e-07% change) linmin: converged after 4 iterations. iteration 96: trace = 6.720498508965846 (1.08688e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.720498499076913 (1.47146e-07% change) linmin: converged after 19 iterations. iteration 98: trace = 6.720498492691434 (9.5015e-08% change) linmin: converged after 7 iterations. iteration 99: trace = 6.720498490784987 (2.83676e-08% change) large trace change predicted (6.5941e-08%) linmin: converged after 10 iterations. iteration 100: trace = 6.720498486353334 (6.59423e-08% change) linmin: converged after 4 iterations. iteration 101: trace = 6.720498482665715 (5.48712e-08% change) linmin: converged after 12 iterations. iteration 102: trace = 6.720498480517313 (3.19679e-08% change) linmin: converged after 4 iterations. iteration 103: trace = 6.720498478115991 (3.57313e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.720498474287696 (5.69645e-08% change) linmin: converged after 29 iterations. iteration 105: trace = 6.720498473541149 (1.11085e-08% change) large trace change predicted (2.47838e-08%) linmin: converged after 4 iterations. iteration 106: trace = 6.720498471875564 (2.47837e-08% change) linmin: converged after 4 iterations. iteration 107: trace = 6.720498471055208 (1.22068e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 6.720498470350883 (1.04803e-08% change) linmin: converged after 4 iterations. iteration 109: trace = 6.720498469397505 (1.41861e-08% change) linmin: converged after 5 iterations. iteration 110: trace = 6.720498468545252 (1.26814e-08% change) linmin: converged after 31 iterations. iteration 111: trace = 6.720498468272286 (4.0617e-09% change) large trace change predicted (9.26929e-09%) linmin: converged after 5 iterations. iteration 112: trace = 6.720498467649367 (9.26893e-09% change) linmin: converged after 4 iterations. iteration 113: trace = 6.720498466966988 (1.01537e-08% change) linmin: converged after 10 iterations. iteration 114: trace = 6.720498466587099 (5.65269e-09% change) linmin: converged after 8 iterations. iteration 115: trace = 6.720498466423583 (2.4331e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 6.72049846625117 (2.56547e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 6.720498466094205 (2.33562e-09% change) linmin: converged after 30 iterations. iteration 118: trace = 6.720498466028793 (9.73316e-10% change) large trace change predicted (2.31059e-09%) linmin: converged after 4 iterations. iteration 119: trace = 6.720498465873534 (2.31024e-09% change) linmin: converged after 10 iterations. iteration 120: trace = 6.720498465800697 (1.0838e-09% change) linmin: converged after 4 iterations. iteration 121: trace = 6.720498465753364 (7.04305e-10% change) linmin: converged after 18 iterations. iteration 122: trace = 6.720498465699117 (8.07191e-10% change) linmin: converged after 6 iterations. iteration 123: trace = 6.720498465620707 (1.16672e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.720498465592529 (4.1929e-10% change) linmin: converged after 4 iterations. iteration 125: trace = 6.72049846557295 (2.91333e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.720498465558395 (2.16583e-10% change) linmin: converged after 12 iterations. iteration 127: trace = 6.720498465555194 (4.76303e-11% change) Finished solving for bands 1 to 8 after 127 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.326025, 0.580731, 0.672069, 0.852808, 0.974388, 1.03211, 1.23516, 1.24808 elapsed time for k point: 1.132000207901001 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.805955352031835 (0.370679% change) linmin: converged after 5 iterations. iteration 2: trace = 6.786471645847239 (0.286685% change) linmin: converged after 4 iterations. iteration 3: trace = 6.766412309853988 (0.296016% change) linmin: converged after 5 iterations. iteration 4: trace = 6.762821497824874 (0.0530823% change) large trace change predicted (0.161507%) linmin: converged after 4 iterations. iteration 5: trace = 6.75155062614866 (0.166798% change) linmin: converged after 4 iterations. iteration 6: trace = 6.745349182879033 (0.0918943% change) linmin: converged after 4 iterations. iteration 7: trace = 6.741351558095389 (0.0592825% change) linmin: converged after 3 iterations. iteration 8: trace = 6.737815057785499 (0.0524736% change) linmin: converged after 4 iterations. iteration 9: trace = 6.736500260020686 (0.0195156% change) large trace change predicted (0.0500717%) linmin: converged after 3 iterations. iteration 10: trace = 6.733113218000609 (0.0502916% change) linmin: converged after 3 iterations. iteration 11: trace = 6.731523332423912 (0.0236157% change) linmin: converged after 3 iterations. iteration 12: trace = 6.729172145607876 (0.0349341% change) linmin: converged after 4 iterations. iteration 13: trace = 6.726626433151624 (0.0378381% change) linmin: converged after 4 iterations. iteration 14: trace = 6.725266955478946 (0.0202124% change) linmin: converged after 4 iterations. iteration 15: trace = 6.722631950808276 (0.0391883% change) linmin: converged after 4 iterations. iteration 16: trace = 6.721297259955682 (0.0198557% change) linmin: converged after 3 iterations. iteration 17: trace = 6.71879867059258 (0.0371811% change) linmin: converged after 4 iterations. iteration 18: trace = 6.717806207398143 (0.0147725% change) linmin: converged after 3 iterations. iteration 19: trace = 6.716974623076929 (0.0123796% change) linmin: converged after 3 iterations. iteration 20: trace = 6.71637301711614 (0.0089569% change) linmin: converged after 4 iterations. iteration 21: trace = 6.716154275586822 (0.00325689% change) large trace change predicted (0.0101656%) linmin: converged after 4 iterations. iteration 22: trace = 6.715471626096691 (0.0101648% change) linmin: converged after 4 iterations. iteration 23: trace = 6.71518347118853 (0.004291% change) large trace change predicted (0.0113969%) linmin: converged after 3 iterations. iteration 24: trace = 6.714417828794597 (0.0114023% change) linmin: converged after 3 iterations. iteration 25: trace = 6.714023678705928 (0.00587038% change) linmin: converged after 4 iterations. iteration 26: trace = 6.713806562251935 (0.00323383% change) linmin: converged after 4 iterations. iteration 27: trace = 6.713579668693027 (0.00337956% change) linmin: converged after 4 iterations. iteration 28: trace = 6.713511728607021 (0.00101199% change) large trace change predicted (0.0020878%) linmin: converged after 3 iterations. iteration 29: trace = 6.713371328352466 (0.00209133% change) linmin: converged after 3 iterations. iteration 30: trace = 6.713315046237599 (0.000838362% change) large trace change predicted (0.00185104%) linmin: converged after 4 iterations. iteration 31: trace = 6.713190941339971 (0.00184866% change) linmin: converged after 3 iterations. iteration 32: trace = 6.713118652377476 (0.00107683% change) linmin: converged after 4 iterations. iteration 33: trace = 6.713048703061627 (0.00104198% change) linmin: converged after 5 iterations. iteration 34: trace = 6.712960185520178 (0.0013186% change) linmin: converged after 3 iterations. iteration 35: trace = 6.712939421020381 (0.00030932% change) large trace change predicted (0.000713841%) linmin: converged after 3 iterations. iteration 36: trace = 6.712891502026764 (0.000713833% change) linmin: converged after 4 iterations. iteration 37: trace = 6.71288379616655 (0.000114792% change) large trace change predicted (0.000489822%) linmin: converged after 3 iterations. iteration 38: trace = 6.712850923731485 (0.000489693% change) linmin: converged after 6 iterations. iteration 39: trace = 6.712831944322497 (0.000282733% change) linmin: converged after 3 iterations. iteration 40: trace = 6.712819122549863 (0.000191004% change) linmin: converged after 4 iterations. iteration 41: trace = 6.712799137569486 (0.000297714% change) linmin: converged after 3 iterations. iteration 42: trace = 6.712794544864233 (6.84172e-05% change) large trace change predicted (0.000162524%) linmin: converged after 5 iterations. iteration 43: trace = 6.712783638493903 (0.000162472% change) linmin: converged after 11 iterations. iteration 44: trace = 6.712781295169769 (3.49084e-05% change) large trace change predicted (8.74419e-05%) linmin: converged after 4 iterations. iteration 45: trace = 6.712775425436074 (8.74412e-05% change) linmin: converged after 9 iterations. iteration 46: trace = 6.712773786932622 (2.44087e-05% change) large trace change predicted (5.15217e-05%) linmin: converged after 3 iterations. iteration 47: trace = 6.712770326994617 (5.15426e-05% change) linmin: converged after 3 iterations. iteration 48: trace = 6.712767502420244 (4.20776e-05% change) linmin: converged after 8 iterations. iteration 49: trace = 6.712766705641736 (1.18696e-05% change) large trace change predicted (4.49226e-05%) linmin: converged after 3 iterations. iteration 50: trace = 6.712763689647757 (4.49292e-05% change) linmin: converged after 3 iterations. iteration 51: trace = 6.712763102132034 (8.75222e-06% change) large trace change predicted (2.71658e-05%) linmin: converged after 2 iterations. iteration 52: trace = 6.71276127854624 (2.7166e-05% change) linmin: converged after 3 iterations. iteration 53: trace = 6.712760419286989 (1.28004e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 6.712759718356282 (1.04418e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.71275902216277 (1.03712e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.71275884752382 (2.6016e-06% change) large trace change predicted (8.44755e-06%) linmin: converged after 4 iterations. iteration 57: trace = 6.712758280566021 (8.44597e-06% change) linmin: converged after 3 iterations. iteration 58: trace = 6.712758165037714 (1.72103e-06% change) large trace change predicted (5.84499e-06%) linmin: converged after 6 iterations. iteration 59: trace = 6.712757772742973 (5.84402e-06% change) linmin: converged after 3 iterations. iteration 60: trace = 6.712757572256018 (2.98666e-06% change) linmin: converged after 3 iterations. iteration 61: trace = 6.712757429161202 (2.13168e-06% change) linmin: converged after 3 iterations. iteration 62: trace = 6.712757251596218 (2.64519e-06% change) linmin: converged after 3 iterations. iteration 63: trace = 6.712757218513527 (4.92833e-07% change) large trace change predicted (1.75918e-06%) linmin: converged after 4 iterations. iteration 64: trace = 6.712757100419477 (1.75925e-06% change) linmin: converged after 4 iterations. iteration 65: trace = 6.712757077191751 (3.46024e-07% change) large trace change predicted (7.74689e-07%) linmin: converged after 7 iterations. iteration 66: trace = 6.712757025187551 (7.74707e-07% change) linmin: converged after 6 iterations. iteration 67: trace = 6.712756982435169 (6.36883e-07% change) linmin: converged after 3 iterations. iteration 68: trace = 6.712756959206528 (3.46037e-07% change) linmin: converged after 2 iterations. iteration 69: trace = 6.712756912967455 (6.88824e-07% change) resetting CG direction... linmin: converged after 24 iterations. iteration 70: trace = 6.712756900835401 (1.80731e-07% change) linmin: converged after 3 iterations. iteration 71: trace = 6.712756887602744 (1.97127e-07% change) linmin: converged after 4 iterations. iteration 72: trace = 6.712756883382651 (6.28668e-08% change) large trace change predicted (1.50453e-07%) linmin: converged after 3 iterations. iteration 73: trace = 6.712756873283277 (1.5045e-07% change) linmin: converged after 4 iterations. iteration 74: trace = 6.712756865378772 (1.17753e-07% change) linmin: converged after 21 iterations. iteration 75: trace = 6.712756859672806 (8.50018e-08% change) large trace change predicted (2.04409e-07%) linmin: converged after 6 iterations. iteration 76: trace = 6.712756845951316 (2.04409e-07% change) linmin: converged after 3 iterations. iteration 77: trace = 6.712756843609621 (3.48842e-08% change) large trace change predicted (1.27223e-07%) linmin: converged after 4 iterations. iteration 78: trace = 6.71275683506934 (1.27225e-07% change) linmin: converged after 3 iterations. iteration 79: trace = 6.712756830475133 (6.84399e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 6.712756828633527 (2.74344e-08% change) large trace change predicted (5.49577e-08%) linmin: converged after 4 iterations. iteration 81: trace = 6.712756824944322 (5.49581e-08% change) linmin: converged after 4 iterations. iteration 82: trace = 6.712756821598436 (4.98437e-08% change) linmin: converged after 17 iterations. iteration 83: trace = 6.712756819482644 (3.1519e-08% change) linmin: converged after 10 iterations. iteration 84: trace = 6.712756817407787 (3.09092e-08% change) linmin: converged after 5 iterations. iteration 85: trace = 6.712756816739338 (9.95788e-09% change) large trace change predicted (2.35922e-08%) linmin: converged after 3 iterations. iteration 86: trace = 6.712756815155657 (2.35921e-08% change) linmin: converged after 4 iterations. iteration 87: trace = 6.712756814927111 (3.40465e-09% change) large trace change predicted (1.14616e-08%) linmin: converged after 18 iterations. iteration 88: trace = 6.712756814157732 (1.14614e-08% change) linmin: converged after 17 iterations. iteration 89: trace = 6.712756813635045 (7.78647e-09% change) linmin: converged after 14 iterations. iteration 90: trace = 6.71275681341351 (3.30022e-09% change) large trace change predicted (7.75074e-09%) linmin: converged after 25 iterations. iteration 91: trace = 6.712756812893209 (7.75092e-09% change) linmin: converged after 9 iterations. iteration 92: trace = 6.712756812760745 (1.97333e-09% change) large trace change predicted (5.88918e-09%) linmin: converged after 13 iterations. iteration 93: trace = 6.712756812365424 (5.8891e-09% change) linmin: converged after 3 iterations. iteration 94: trace = 6.712756812003807 (5.387e-09% change) linmin: converged after 7 iterations. iteration 95: trace = 6.712756811899509 (1.55373e-09% change) large trace change predicted (3.84346e-09%) linmin: converged after 11 iterations. iteration 96: trace = 6.712756811641516 (3.84332e-09% change) linmin: converged after 2 iterations. iteration 97: trace = 6.712756811536827 (1.55956e-09% change) linmin: converged after 4 iterations. iteration 98: trace = 6.712756811500308 (5.44014e-10% change) large trace change predicted (1.79942e-09%) linmin: converged after 7 iterations. iteration 99: trace = 6.712756811379516 (1.79944e-09% change) linmin: converged after 2 iterations. iteration 100: trace = 6.712756811259492 (1.788e-09% change) linmin: converged after 4 iterations. iteration 101: trace = 6.712756811223127 (5.41738e-10% change) linmin: converged after 10 iterations. iteration 102: trace = 6.712756811167312 (8.31475e-10% change) linmin: converged after 7 iterations. iteration 103: trace = 6.712756811117374 (7.43924e-10% change) linmin: converged after 2 iterations. iteration 104: trace = 6.712756811108303 (1.3513e-10% change) large trace change predicted (4.49877e-10%) linmin: converged after 4 iterations. iteration 105: trace = 6.712756811078102 (4.49901e-10% change) linmin: converged after 2 iterations. iteration 106: trace = 6.712756811070889 (1.07451e-10% change) large trace change predicted (2.43029e-10%) linmin: converged after 19 iterations. iteration 107: trace = 6.712756811054567 (2.4315e-10% change) linmin: converged after 9 iterations. iteration 108: trace = 6.71275681103773 (2.50824e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 6.712756811022556 (2.26042e-10% change) linmin: converged after 4 iterations. iteration 110: trace = 6.712756811015986 (9.78844e-11% change) Finished solving for bands 1 to 8 after 110 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.226064, 0.606225, 0.716276, 0.861027, 1.00531, 1.00779, 1.22714, 1.22782 elapsed time for k point: 0.8394441604614258 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.804447595323905 (0.075091% change) large trace change predicted (0.247841%) linmin: converged after 3 iterations. iteration 2: trace = 6.787509709560569 (0.249234% change) linmin: converged after 12 iterations. iteration 3: trace = 6.78416600758117 (0.0492747% change) large trace change predicted (0.154108%) linmin: converged after 4 iterations. iteration 4: trace = 6.773847328685956 (0.152215% change) linmin: converged after 4 iterations. iteration 5: trace = 6.77251991858013 (0.019598% change) large trace change predicted (0.0906904%) linmin: converged after 4 iterations. iteration 6: trace = 6.7662211737164 (0.0930477% change) linmin: converged after 3 iterations. iteration 7: trace = 6.765489412066492 (0.0108155% change) large trace change predicted (0.0789839%) linmin: converged after 4 iterations. iteration 8: trace = 6.759960406114532 (0.0817571% change) linmin: converged after 3 iterations. iteration 9: trace = 6.759700044533112 (0.0038516% change) large trace change predicted (0.0309309%) linmin: converged after 3 iterations. iteration 10: trace = 6.757604007969362 (0.0310126% change) linmin: converged after 3 iterations. iteration 11: trace = 6.757369187106947 (0.00347497% change) large trace change predicted (0.0247096%) linmin: converged after 5 iterations. iteration 12: trace = 6.755700380516066 (0.0246991% change) linmin: converged after 4 iterations. iteration 13: trace = 6.755504919641139 (0.00289332% change) large trace change predicted (0.012852%) linmin: converged after 4 iterations. iteration 14: trace = 6.754652206748955 (0.0126233% change) linmin: converged after 4 iterations. iteration 15: trace = 6.754115945082325 (0.00793946% change) linmin: converged after 4 iterations. iteration 16: trace = 6.753542779465762 (0.00848653% change) large trace change predicted (0.0199723%) linmin: converged after 3 iterations. iteration 17: trace = 6.752183335844688 (0.0201314% change) linmin: converged after 4 iterations. iteration 18: trace = 6.752084991574542 (0.00145649% change) large trace change predicted (0.0158811%) linmin: converged after 4 iterations. iteration 19: trace = 6.751015956392777 (0.0158339% change) linmin: converged after 4 iterations. iteration 20: trace = 6.750877686058918 (0.00204816% change) large trace change predicted (0.0154243%) linmin: converged after 3 iterations. iteration 21: trace = 6.749833216418178 (0.0154728% change) linmin: converged after 4 iterations. iteration 22: trace = 6.749728282010169 (0.00155463% change) large trace change predicted (0.0115024%) linmin: converged after 4 iterations. iteration 23: trace = 6.748952036441013 (0.0115011% change) linmin: converged after 4 iterations. iteration 24: trace = 6.748764551424209 (0.00277803% change) linmin: converged after 3 iterations. iteration 25: trace = 6.748476017419485 (0.00427545% change) linmin: converged after 4 iterations. iteration 26: trace = 6.748262776589692 (0.00315989% change) linmin: converged after 3 iterations. iteration 27: trace = 6.748165146398375 (0.00144676% change) large trace change predicted (0.00385788%) linmin: converged after 4 iterations. iteration 28: trace = 6.747905822884305 (0.00384295% change) linmin: converged after 3 iterations. iteration 29: trace = 6.747846612381974 (0.000877469% change) large trace change predicted (0.00317745%) linmin: converged after 4 iterations. iteration 30: trace = 6.747632836969705 (0.0031681% change) linmin: converged after 4 iterations. iteration 31: trace = 6.747606394525548 (0.000391878% change) large trace change predicted (0.00306597%) linmin: converged after 4 iterations. iteration 32: trace = 6.747399953171819 (0.00305952% change) linmin: converged after 4 iterations. iteration 33: trace = 6.747387722078511 (0.000181271% change) large trace change predicted (0.00242336%) linmin: converged after 4 iterations. iteration 34: trace = 6.747225018833506 (0.00241138% change) linmin: converged after 3 iterations. iteration 35: trace = 6.747193960227815 (0.000460318% change) large trace change predicted (0.00107856%) linmin: converged after 4 iterations. iteration 36: trace = 6.747121438334209 (0.00107485% change) linmin: converged after 3 iterations. iteration 37: trace = 6.7470997718898 (0.000321122% change) large trace change predicted (0.000751257%) linmin: converged after 4 iterations. iteration 38: trace = 6.747049150715911 (0.000750268% change) linmin: converged after 3 iterations. iteration 39: trace = 6.747008136779598 (0.000607881% change) linmin: converged after 4 iterations. iteration 40: trace = 6.746998870293799 (0.000137342% change) large trace change predicted (0.000631497%) linmin: converged after 3 iterations. iteration 41: trace = 6.746956262489844 (0.000631509% change) linmin: converged after 6 iterations. iteration 42: trace = 6.746953504893698 (4.08717e-05% change) large trace change predicted (0.000481256%) linmin: converged after 3 iterations. iteration 43: trace = 6.746921047716273 (0.000481065% change) linmin: converged after 4 iterations. iteration 44: trace = 6.746917366333847 (5.45639e-05% change) large trace change predicted (0.0002699%) linmin: converged after 5 iterations. iteration 45: trace = 6.746899160425827 (0.000269841% change) linmin: converged after 4 iterations. iteration 46: trace = 6.746895008381835 (6.15401e-05% change) large trace change predicted (0.00019307%) linmin: converged after 3 iterations. iteration 47: trace = 6.746881974266559 (0.000193187% change) linmin: converged after 4 iterations. iteration 48: trace = 6.746874481438184 (0.000111056% change) linmin: converged after 3 iterations. iteration 49: trace = 6.746868146557246 (9.38936e-05% change) linmin: converged after 4 iterations. iteration 50: trace = 6.746857504420103 (0.000157735% change) linmin: converged after 3 iterations. iteration 51: trace = 6.746855516675071 (2.94618e-05% change) large trace change predicted (0.000214718%) linmin: converged after 6 iterations. iteration 52: trace = 6.746841037554336 (0.000214606% change) linmin: converged after 4 iterations. iteration 53: trace = 6.746840193062241 (1.25169e-05% change) large trace change predicted (9.3173e-05%) linmin: converged after 3 iterations. iteration 54: trace = 6.746833909627384 (9.31316e-05% change) linmin: converged after 3 iterations. iteration 55: trace = 6.746833185015451 (1.074e-05% change) large trace change predicted (5.96415e-05%) linmin: converged after 3 iterations. iteration 56: trace = 6.746829162576902 (5.96197e-05% change) linmin: converged after 3 iterations. iteration 57: trace = 6.746828725834517 (6.4733e-06% change) large trace change predicted (2.46714e-05%) linmin: converged after 5 iterations. iteration 58: trace = 6.74682706211512 (2.46593e-05% change) linmin: converged after 5 iterations. iteration 59: trace = 6.746825889499674 (1.73803e-05% change) linmin: converged after 4 iterations. iteration 60: trace = 6.746825452545512 (6.47644e-06% change) large trace change predicted (2.95798e-05%) linmin: converged after 3 iterations. iteration 61: trace = 6.746823456681524 (2.95823e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 6.746823127211622 (4.88333e-06% change) large trace change predicted (2.68474e-05%) linmin: converged after 5 iterations. iteration 63: trace = 6.746821315951441 (2.68461e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.74682118432021 (1.95101e-06% change) large trace change predicted (1.52566e-05%) linmin: converged after 4 iterations. iteration 65: trace = 6.746820154908292 (1.52577e-05% change) linmin: converged after 7 iterations. iteration 66: trace = 6.746820081622887 (1.08622e-06% change) large trace change predicted (7.08718e-06%) linmin: converged after 3 iterations. iteration 67: trace = 6.746819603431781 (7.08765e-06% change) linmin: converged after 3 iterations. iteration 68: trace = 6.746819452732547 (2.23363e-06% change) linmin: converged after 7 iterations. iteration 69: trace = 6.74681925723311 (2.89765e-06% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 6.746819149107638 (1.60261e-06% change) linmin: converged after 3 iterations. iteration 71: trace = 6.746819008753461 (2.0803e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 6.746818910253522 (1.45995e-06% change) linmin: converged after 3 iterations. iteration 73: trace = 6.746818745187227 (2.44658e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.746818616830524 (1.90248e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 6.746818399211371 (3.22551e-06% change) linmin: converged after 4 iterations. iteration 76: trace = 6.74681828538086 (1.68717e-06% change) linmin: converged after 2 iterations. iteration 77: trace = 6.746818109865201 (2.60146e-06% change) linmin: converged after 20 iterations. iteration 78: trace = 6.746818071152347 (5.73794e-07% change) large trace change predicted (1.5422e-06%) linmin: converged after 4 iterations. iteration 79: trace = 6.746817967105337 (1.54216e-06% change) linmin: converged after 8 iterations. iteration 80: trace = 6.746817914381793 (7.81458e-07% change) linmin: converged after 9 iterations. iteration 81: trace = 6.746817907083527 (1.08173e-07% change) large trace change predicted (1.24553e-06%) linmin: converged after 2 iterations. iteration 82: trace = 6.74681782304615 (1.24559e-06% change) linmin: converged after 13 iterations. iteration 83: trace = 6.74681781661431 (9.53314e-08% change) large trace change predicted (1.0668e-06%) linmin: converged after 8 iterations. iteration 84: trace = 6.746817744641013 (1.06677e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.746817736393177 (1.22248e-07% change) large trace change predicted (5.15241e-07%) linmin: converged after 3 iterations. iteration 86: trace = 6.746817701631278 (5.15234e-07% change) linmin: converged after 5 iterations. iteration 87: trace = 6.746817697536646 (6.06898e-08% change) large trace change predicted (2.33444e-07%) linmin: converged after 4 iterations. iteration 88: trace = 6.746817681786828 (2.33441e-07% change) linmin: converged after 5 iterations. iteration 89: trace = 6.746817679575117 (3.27815e-08% change) large trace change predicted (2.03086e-07%) linmin: converged after 3 iterations. iteration 90: trace = 6.746817665873402 (2.03084e-07% change) linmin: converged after 21 iterations. iteration 91: trace = 6.746817664988518 (1.31156e-08% change) large trace change predicted (1.38685e-07%) linmin: converged after 7 iterations. iteration 92: trace = 6.746817655631772 (1.38684e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 6.746817654085186 (2.29232e-08% change) large trace change predicted (1.18599e-07%) linmin: converged after 8 iterations. iteration 94: trace = 6.746817646083493 (1.186e-07% change) linmin: converged after 13 iterations. iteration 95: trace = 6.746817640462645 (8.33111e-08% change) linmin: converged after 7 iterations. iteration 96: trace = 6.746817637625213 (4.20559e-08% change) linmin: converged after 4 iterations. iteration 97: trace = 6.74681763331078 (6.39477e-08% change) linmin: converged after 5 iterations. iteration 98: trace = 6.746817629968001 (4.9546e-08% change) linmin: converged after 11 iterations. iteration 99: trace = 6.7468176261558 (5.65037e-08% change) linmin: converged after 7 iterations. iteration 100: trace = 6.746817625992414 (2.42167e-09% change) large trace change predicted (2.59342e-08%) linmin: converged after 11 iterations. iteration 101: trace = 6.746817624242672 (2.59343e-08% change) linmin: converged after 20 iterations. iteration 102: trace = 6.746817624100168 (2.11216e-09% change) large trace change predicted (1.59034e-08%) linmin: converged after 4 iterations. iteration 103: trace = 6.746817623027193 (1.59034e-08% change) linmin: converged after 4 iterations. iteration 104: trace = 6.74681762290797 (1.7671e-09% change) large trace change predicted (1.6433e-08%) linmin: converged after 19 iterations. iteration 105: trace = 6.746817621799271 (1.64329e-08% change) linmin: converged after 33 iterations. iteration 106: trace = 6.74681762171291 (1.28003e-09% change) large trace change predicted (1.75521e-08%) linmin: converged after 4 iterations. iteration 107: trace = 6.746817620528712 (1.75519e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.74681762045374 (1.11122e-09% change) large trace change predicted (1.18806e-08%) linmin: converged after 22 iterations. iteration 109: trace = 6.746817619652177 (1.18806e-08% change) linmin: converged after 6 iterations. iteration 110: trace = 6.746817619405686 (3.65344e-09% change) linmin: converged after 3 iterations. iteration 111: trace = 6.746817619222378 (2.71695e-09% change) linmin: converged after 22 iterations. iteration 112: trace = 6.746817619074591 (2.19048e-09% change) linmin: converged after 2 iterations. iteration 113: trace = 6.746817619026851 (7.07587e-10% change) large trace change predicted (3.27373e-09%) linmin: converged after 4 iterations. iteration 114: trace = 6.746817618805972 (3.27383e-09% change) linmin: converged after 4 iterations. iteration 115: trace = 6.746817618788889 (2.53204e-10% change) large trace change predicted (2.65445e-09%) linmin: converged after 4 iterations. iteration 116: trace = 6.746817618609805 (2.65434e-09% change) linmin: converged after 18 iterations. iteration 117: trace = 6.746817618591581 (2.7012e-10% change) large trace change predicted (1.0326e-09%) linmin: converged after 12 iterations. iteration 118: trace = 6.746817618521913 (1.0326e-09% change) linmin: converged after 10 iterations. iteration 119: trace = 6.746817618511382 (1.5609e-10% change) large trace change predicted (1.35052e-09%) linmin: converged after 2 iterations. iteration 120: trace = 6.746817618420272 (1.3504e-09% change) linmin: converged after 18 iterations. iteration 121: trace = 6.746817618406766 (2.00191e-10% change) large trace change predicted (1.7203e-09%) linmin: converged after 10 iterations. iteration 122: trace = 6.746817618290709 (1.72017e-09% change) linmin: converged after 11 iterations. iteration 123: trace = 6.746817618281478 (1.36831e-10% change) large trace change predicted (1.19037e-09%) linmin: converged after 4 iterations. iteration 124: trace = 6.74681761820117 (1.1903e-09% change) linmin: converged after 16 iterations. iteration 125: trace = 6.746817618186881 (2.11789e-10% change) linmin: converged after 15 iterations. iteration 126: trace = 6.74681761816829 (2.75557e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.746817618151576 (2.47728e-10% change) linmin: converged after 6 iterations. iteration 128: trace = 6.746817618140278 (1.67464e-10% change) linmin: converged after 13 iterations. iteration 129: trace = 6.746817618132886 (1.09554e-10% change) linmin: converged after 3 iterations. iteration 130: trace = 6.746817618121986 (1.61567e-10% change) linmin: converged after 2 iterations. iteration 131: trace = 6.746817618106294 (2.32576e-10% change) linmin: converged after 5 iterations. iteration 132: trace = 6.746817618105011 (1.90226e-11% change) Finished solving for bands 1 to 8 after 132 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.114855, 0.645572, 0.76138, 0.812, 0.980404, 1.09879, 1.19545, 1.21663 elapsed time for k point: 0.9009494781494141 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 3 iterations. iteration 1: trace = 6.925814500596418 (0.213094% change) linmin: converged after 5 iterations. iteration 2: trace = 6.912656408360107 (0.190167% change) linmin: converged after 3 iterations. iteration 3: trace = 6.904258247585227 (0.121563% change) linmin: converged after 5 iterations. iteration 4: trace = 6.896682475678196 (0.109786% change) linmin: converged after 3 iterations. iteration 5: trace = 6.893477598605052 (0.0464806% change) linmin: converged after 4 iterations. iteration 6: trace = 6.89027467957257 (0.0464738% change) linmin: converged after 4 iterations. iteration 7: trace = 6.887461836997099 (0.0408317% change) linmin: converged after 4 iterations. iteration 8: trace = 6.882497275426465 (0.0721071% change) linmin: converged after 4 iterations. iteration 9: trace = 6.879290874293486 (0.0465986% change) linmin: converged after 4 iterations. iteration 10: trace = 6.875156897538091 (0.0601111% change) linmin: converged after 4 iterations. iteration 11: trace = 6.872798201194945 (0.0343134% change) linmin: converged after 3 iterations. iteration 12: trace = 6.870794994806168 (0.0291511% change) linmin: converged after 4 iterations. iteration 13: trace = 6.868395881036607 (0.0349237% change) linmin: converged after 4 iterations. iteration 14: trace = 6.86621439556751 (0.0317663% change) linmin: converged after 3 iterations. iteration 15: trace = 6.864840060452693 (0.0200179% change) linmin: converged after 4 iterations. iteration 16: trace = 6.864049033521961 (0.0115235% change) large trace change predicted (0.0249855%) linmin: converged after 3 iterations. iteration 17: trace = 6.862313276187908 (0.0252909% change) linmin: converged after 3 iterations. iteration 18: trace = 6.860715224253143 (0.0232901% change) linmin: converged after 3 iterations. iteration 19: trace = 6.859968809484593 (0.0108801% change) linmin: converged after 3 iterations. iteration 20: trace = 6.859391947998565 (0.00840945% change) linmin: converged after 3 iterations. iteration 21: trace = 6.858827502382783 (0.00822914% change) linmin: converged after 3 iterations. iteration 22: trace = 6.858164410591376 (0.00966818% change) linmin: converged after 3 iterations. iteration 23: trace = 6.857406145261944 (0.011057% change) linmin: converged after 3 iterations. iteration 24: trace = 6.856832784686063 (0.00836154% change) linmin: converged after 3 iterations. iteration 25: trace = 6.856491556212852 (0.0049766% change) linmin: converged after 3 iterations. iteration 26: trace = 6.856252194382823 (0.00349109% change) linmin: converged after 4 iterations. iteration 27: trace = 6.856048890634965 (0.00296528% change) linmin: converged after 3 iterations. iteration 28: trace = 6.855800374166336 (0.00362484% change) linmin: converged after 3 iterations. iteration 29: trace = 6.855651394979553 (0.00217306% change) linmin: converged after 3 iterations. iteration 30: trace = 6.855512431528354 (0.00202701% change) linmin: converged after 3 iterations. iteration 31: trace = 6.855355716860478 (0.00228599% change) linmin: converged after 3 iterations. iteration 32: trace = 6.855230958647358 (0.00181988% change) linmin: converged after 3 iterations. iteration 33: trace = 6.855155357961117 (0.00110282% change) linmin: converged after 3 iterations. iteration 34: trace = 6.855094916541149 (0.000881697% change) linmin: converged after 3 iterations. iteration 35: trace = 6.85502521717437 (0.00101676% change) linmin: converged after 7 iterations. iteration 36: trace = 6.854917688010056 (0.00156863% change) linmin: converged after 3 iterations. iteration 37: trace = 6.854865488480574 (0.000761493% change) linmin: converged after 4 iterations. iteration 38: trace = 6.854810981191307 (0.000795165% change) linmin: converged after 4 iterations. iteration 39: trace = 6.854754429052387 (0.000825003% change) linmin: converged after 3 iterations. iteration 40: trace = 6.854698860222133 (0.000810664% change) linmin: converged after 4 iterations. iteration 41: trace = 6.854636654728656 (0.000907491% change) linmin: converged after 3 iterations. iteration 42: trace = 6.854585360152608 (0.000748322% change) linmin: converged after 4 iterations. iteration 43: trace = 6.854557541681724 (0.000405838% change) linmin: converged after 3 iterations. iteration 44: trace = 6.854534987637432 (0.000329038% change) linmin: converged after 3 iterations. iteration 45: trace = 6.854507849304162 (0.000395919% change) linmin: converged after 3 iterations. iteration 46: trace = 6.854474000119207 (0.000493825% change) linmin: converged after 3 iterations. iteration 47: trace = 6.854448910897645 (0.000366028% change) linmin: converged after 4 iterations. iteration 48: trace = 6.854430742783726 (0.000265056% change) linmin: converged after 4 iterations. iteration 49: trace = 6.854409551795755 (0.000309158% change) linmin: converged after 4 iterations. iteration 50: trace = 6.854386819143956 (0.000331651% change) linmin: converged after 3 iterations. iteration 51: trace = 6.854372356342974 (0.000211001% change) linmin: converged after 3 iterations. iteration 52: trace = 6.854363722046957 (0.000125968% change) linmin: converged after 3 iterations. iteration 53: trace = 6.854355940080093 (0.000113533% change) linmin: converged after 3 iterations. iteration 54: trace = 6.854348218303488 (0.000112655% change) linmin: converged after 3 iterations. iteration 55: trace = 6.85434181489553 (9.34212e-05% change) linmin: converged after 3 iterations. iteration 56: trace = 6.854336867231474 (7.21829e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 6.854332981170005 (5.66949e-05% change) linmin: converged after 4 iterations. iteration 58: trace = 6.854328856284635 (6.01793e-05% change) linmin: converged after 3 iterations. iteration 59: trace = 6.854325493270705 (4.90641e-05% change) linmin: converged after 2 iterations. iteration 60: trace = 6.854320731041433 (6.94777e-05% change) linmin: converged after 2 iterations. iteration 61: trace = 6.854317900614725 (4.12941e-05% change) linmin: converged after 4 iterations. iteration 62: trace = 6.854316466541417 (2.09222e-05% change) linmin: converged after 3 iterations. iteration 63: trace = 6.854314812325643 (2.41339e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 6.854312707976328 (3.07011e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 6.854310570267851 (3.11878e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 6.854309275647925 (1.88877e-05% change) linmin: converged after 4 iterations. iteration 67: trace = 6.854307864026026 (2.05947e-05% change) linmin: converged after 5 iterations. iteration 68: trace = 6.854306225836385 (2.39001e-05% change) linmin: converged after 4 iterations. iteration 69: trace = 6.854304757597444 (2.14207e-05% change) resetting CG direction... linmin: converged after 7 iterations. iteration 70: trace = 6.85430429181651 (6.79545e-06% change) linmin: converged after 2 iterations. iteration 71: trace = 6.854303980839092 (4.53697e-06% change) linmin: converged after 2 iterations. iteration 72: trace = 6.854303707007329 (3.99503e-06% change) linmin: converged after 4 iterations. iteration 73: trace = 6.854303306237795 (5.84698e-06% change) linmin: converged after 4 iterations. iteration 74: trace = 6.854303028457227 (4.05264e-06% change) linmin: converged after 3 iterations. iteration 75: trace = 6.854302857018638 (2.50118e-06% change) linmin: converged after 2 iterations. iteration 76: trace = 6.854302716414224 (2.05133e-06% change) linmin: converged after 5 iterations. iteration 77: trace = 6.854302589324328 (1.85416e-06% change) linmin: converged after 3 iterations. iteration 78: trace = 6.854302422020374 (2.44086e-06% change) linmin: converged after 2 iterations. iteration 79: trace = 6.854302178650507 (3.55061e-06% change) linmin: converged after 2 iterations. iteration 80: trace = 6.854302043160593 (1.97671e-06% change) linmin: converged after 5 iterations. iteration 81: trace = 6.854301959862691 (1.21526e-06% change) linmin: converged after 3 iterations. iteration 82: trace = 6.854301838190406 (1.77512e-06% change) linmin: converged after 4 iterations. iteration 83: trace = 6.854301701143552 (1.99943e-06% change) linmin: converged after 5 iterations. iteration 84: trace = 6.854301574127346 (1.85309e-06% change) linmin: converged after 4 iterations. iteration 85: trace = 6.854301492731233 (1.18752e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 6.854301369172781 (1.80264e-06% change) linmin: converged after 3 iterations. iteration 87: trace = 6.854301206108594 (2.37901e-06% change) linmin: converged after 8 iterations. iteration 88: trace = 6.854301115047358 (1.32853e-06% change) linmin: converged after 3 iterations. iteration 89: trace = 6.854301061403404 (7.82632e-07% change) linmin: converged after 7 iterations. iteration 90: trace = 6.854301010580798 (7.4147e-07% change) linmin: converged after 4 iterations. iteration 91: trace = 6.854300954169966 (8.22999e-07% change) linmin: converged after 7 iterations. iteration 92: trace = 6.854300910079177 (6.43257e-07% change) linmin: converged after 16 iterations. iteration 93: trace = 6.854300884305875 (3.76016e-07% change) linmin: converged after 2 iterations. iteration 94: trace = 6.854300873282439 (1.60825e-07% change) linmin: converged after 19 iterations. iteration 95: trace = 6.85430086333042 (1.45194e-07% change) linmin: converged after 8 iterations. iteration 96: trace = 6.854300852297724 (1.6096e-07% change) linmin: converged after 4 iterations. iteration 97: trace = 6.854300845288805 (1.02256e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 6.854300839717113 (8.12875e-08% change) linmin: converged after 2 iterations. iteration 99: trace = 6.85430083316451 (9.55984e-08% change) linmin: converged after 25 iterations. iteration 100: trace = 6.854300825010949 (1.18955e-07% change) linmin: converged after 4 iterations. iteration 101: trace = 6.854300821499368 (5.12318e-08% change) linmin: converged after 4 iterations. iteration 102: trace = 6.854300819427277 (3.02305e-08% change) linmin: converged after 10 iterations. iteration 103: trace = 6.854300816199123 (4.70968e-08% change) linmin: converged after 6 iterations. iteration 104: trace = 6.854300810980634 (7.61345e-08% change) linmin: converged after 3 iterations. iteration 105: trace = 6.854300805509967 (7.98136e-08% change) linmin: converged after 2 iterations. iteration 106: trace = 6.854300800803374 (6.86663e-08% change) linmin: converged after 3 iterations. iteration 107: trace = 6.854300798635795 (3.16236e-08% change) linmin: converged after 6 iterations. iteration 108: trace = 6.854300795765834 (4.1871e-08% change) large trace change predicted (8.5378e-08%) linmin: converged after 2 iterations. iteration 109: trace = 6.854300789913748 (8.53783e-08% change) linmin: converged after 3 iterations. iteration 110: trace = 6.854300784491166 (7.91121e-08% change) linmin: converged after 4 iterations. iteration 111: trace = 6.854300782610951 (2.74312e-08% change) linmin: converged after 3 iterations. iteration 112: trace = 6.854300781013686 (2.33031e-08% change) linmin: converged after 5 iterations. iteration 113: trace = 6.854300777960276 (4.45474e-08% change) linmin: converged after 11 iterations. iteration 114: trace = 6.854300776068537 (2.75993e-08% change) linmin: converged after 2 iterations. iteration 115: trace = 6.85430077514526 (1.347e-08% change) linmin: converged after 4 iterations. iteration 116: trace = 6.854300773914987 (1.79489e-08% change) linmin: converged after 17 iterations. iteration 117: trace = 6.854300773064537 (1.24075e-08% change) linmin: converged after 14 iterations. iteration 118: trace = 6.854300772502087 (8.2058e-09% change) linmin: converged after 21 iterations. iteration 119: trace = 6.854300772109052 (5.73414e-09% change) linmin: converged after 4 iterations. iteration 120: trace = 6.854300771873268 (3.43994e-09% change) linmin: converged after 3 iterations. iteration 121: trace = 6.854300771710194 (2.37915e-09% change) linmin: converged after 6 iterations. iteration 122: trace = 6.854300771427565 (4.12338e-09% change) linmin: converged after 4 iterations. iteration 123: trace = 6.854300771301659 (1.83688e-09% change) linmin: converged after 4 iterations. iteration 124: trace = 6.854300771230674 (1.03563e-09% change) linmin: converged after 10 iterations. iteration 125: trace = 6.854300771170164 (8.82801e-10% change) linmin: converged after 3 iterations. iteration 126: trace = 6.854300771103524 (9.72237e-10% change) linmin: converged after 11 iterations. iteration 127: trace = 6.854300771047175 (8.22106e-10% change) linmin: converged after 3 iterations. iteration 128: trace = 6.854300771013627 (4.89449e-10% change) linmin: converged after 5 iterations. iteration 129: trace = 6.85430077098893 (3.60309e-10% change) linmin: converged after 7 iterations. iteration 130: trace = 6.854300770974116 (2.16126e-10% change) linmin: converged after 3 iterations. iteration 131: trace = 6.854300770966613 (1.09456e-10% change) linmin: converged after 2 iterations. iteration 132: trace = 6.854300770959935 (9.7431e-11% change) Finished solving for bands 2 to 8 after 132 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.669987, 0.783178, 0.78318, 0.965522, 1.18154, 1.18154, 1.20597 elapsed time for k point: 0.8251144886016846 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4165291233037401 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4732823234872291 at Vector3<0.5, 0.0, 0.0> to 0.6699867281290618 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.6301802646818523 at Vector3<0.5, 0.5, 0.0> to 0.8037365323031586 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.7017932556977584 at Vector3<0.5, 0.5, 0.0> to 0.8863448167711523 at Vector3<0.5, 0.1, 0.0> Band 5 range: 0.9047498485810708 at Vector3<0.5, 0.1, 0.0> to 1.0557468193007138 at Vector3<0.5, 0.5, 0.0> Band 6 range: 1.0077925606078892 at Vector3<0.19999999999999996, 0.19999999999999996, 0.0> to 1.1815403744341735 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.1224242519757037 at Vector3<0.2, 0.0, 0.0> to 1.235156767923532 at Vector3<0.3, 0.3, 0.0> Band 8 range: 1.2059728636717484 at Vector3<0.0, 0.0, 0.0> to 1.3135062523605643 at Vector3<0.30000000000000004, 0.0, 0.0> Gap from band 1 (0.4165291233037401) to band 2 (0.4732823234872291), 12.756230634740582% Gap from band 4 (0.8863448167711523) to band 5 (0.9047498485810708), 2.055171305677368% total elapsed time for run: 17.347115993499756 done mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" Outputting /tmp/meepakjAzV/test_run_te_with_mu_material-0-mu.h5... mu: 1-5, mean 1.50265, harm. mean 1.12084, 14.5508% > 1, 12.5663% "fill" ./tmp/meepakjAzV/test_run_te_with_mu_material-0: 17.35s /tmp/meepakjAzV/test_run_tm-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013380050659179688 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 16 iterations. iteration 1: trace = 13.34219610907316 (195.048% change) linmin: converged after 7 iterations. iteration 2: trace = 5.483795574134645 (83.4846% change) linmin: converged after 6 iterations. iteration 3: trace = 4.748523532084566 (14.3716% change) linmin: converged after 6 iterations. iteration 4: trace = 4.479228674664691 (5.83663% change) linmin: converged after 5 iterations. iteration 5: trace = 4.407766153594937 (1.60825% change) linmin: converged after 5 iterations. iteration 6: trace = 4.393474956211726 (0.324754% change) linmin: converged after 5 iterations. iteration 7: trace = 4.387914820096039 (0.126635% change) linmin: converged after 5 iterations. iteration 8: trace = 4.384214110536306 (0.0843743% change) linmin: converged after 5 iterations. iteration 9: trace = 4.382673979920479 (0.0351352% change) linmin: converged after 6 iterations. iteration 10: trace = 4.381187024151515 (0.0339338% change) linmin: converged after 5 iterations. iteration 11: trace = 4.378592064872483 (0.0592471% change) linmin: converged after 5 iterations. iteration 12: trace = 4.375630652773514 (0.0676568% change) linmin: converged after 5 iterations. iteration 13: trace = 4.374037327479996 (0.0364202% change) linmin: converged after 4 iterations. iteration 14: trace = 4.373782477119388 (0.0058266% change) linmin: converged after 4 iterations. iteration 15: trace = 4.373742613479035 (0.000911427% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373730192660378 (0.000283986% change) linmin: converged after 5 iterations. iteration 17: trace = 4.373724731090828 (0.000124872% change) linmin: converged after 3 iterations. iteration 18: trace = 4.373723431190648 (2.97207e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.373722977266439 (1.03784e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 4.373722547638314 (9.82294e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.373721986616824 (1.28271e-05% change) linmin: converged after 8 iterations. iteration 22: trace = 4.373721450686105 (1.22534e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.373721224632515 (5.16845e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 4.373721180253412 (1.01468e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 4.373721172520035 (1.76815e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.373721170365219 (4.92674e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.373721169530104 (1.90939e-08% change) linmin: converged after 3 iterations. iteration 28: trace = 4.373721169259862 (6.17878e-09% change) linmin: converged after 28 iterations. iteration 29: trace = 4.373721169186911 (1.66793e-09% change) linmin: converged after 4 iterations. iteration 30: trace = 4.373721169145532 (9.4609e-10% change) linmin: converged after 11 iterations. iteration 31: trace = 4.373721169066987 (1.79584e-09% change) linmin: converged after 3 iterations. iteration 32: trace = 4.373721168966431 (2.2991e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 4.373721168940524 (5.92319e-10% change) linmin: converged after 6 iterations. iteration 34: trace = 4.373721168933659 (1.56974e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.37372116892797 (1.30067e-10% change) linmin: converged after 4 iterations. iteration 36: trace = 4.373721168920043 (1.81241e-10% change) linmin: converged after 6 iterations. iteration 37: trace = 4.373721168904344 (3.58949e-10% change) large trace change predicted (9.95405e-10%) linmin: converged after 5 iterations. iteration 38: trace = 4.373721168860811 (9.95315e-10% change) large trace change predicted (4.53523e-09%) linmin: converged after 6 iterations. iteration 39: trace = 4.373721168662423 (4.53591e-09% change) large trace change predicted (2.07011e-08%) linmin: converged after 3 iterations. iteration 40: trace = 4.373721167757034 (2.07007e-08% change) large trace change predicted (8.12557e-08%) linmin: converged after 4 iterations. iteration 41: trace = 4.373721164203222 (8.12537e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.37372115830691 (1.34812e-07% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721154436483 (8.84928e-08% change) linmin: converged after 11 iterations. iteration 44: trace = 4.373721151274946 (7.22848e-08% change) large trace change predicted (2.03287e-07%) linmin: converged after 6 iterations. iteration 45: trace = 4.373721142383832 (2.03285e-07% change) large trace change predicted (4.92802e-07%) linmin: converged after 6 iterations. iteration 46: trace = 4.373721120833393 (4.92725e-07% change) linmin: converged after 4 iterations. iteration 47: trace = 4.37372107793805 (9.80752e-07% change) large trace change predicted (2.055e-06%) linmin: converged after 6 iterations. iteration 48: trace = 4.373720988609533 (2.04239e-06% change) linmin: converged after 6 iterations. iteration 49: trace = 4.373720903699593 (1.94137e-06% change) linmin: converged after 9 iterations. iteration 50: trace = 4.373720867145784 (8.3576e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.37372085603617 (2.54008e-07% change) linmin: converged after 9 iterations. iteration 52: trace = 4.373720853582015 (5.61114e-08% change) linmin: converged after 5 iterations. iteration 53: trace = 4.373720853002698 (1.32454e-08% change) linmin: converged after 7 iterations. iteration 54: trace = 4.373720852585022 (9.54968e-09% change) linmin: converged after 5 iterations. iteration 55: trace = 4.373720851986538 (1.36836e-08% change) linmin: converged after 8 iterations. iteration 56: trace = 4.373720851520712 (1.06506e-08% change) linmin: converged after 4 iterations. iteration 57: trace = 4.373720851245481 (6.29284e-09% change) linmin: converged after 7 iterations. iteration 58: trace = 4.373720851095249 (3.43487e-09% change) linmin: converged after 4 iterations. iteration 59: trace = 4.373720851044093 (1.16963e-09% change) linmin: converged after 4 iterations. iteration 60: trace = 4.373720851034473 (2.19947e-10% change) linmin: converged after 5 iterations. iteration 61: trace = 4.373720851032822 (3.7751e-11% change) Finished solving for bands 2 to 8 after 61 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 elapsed time for k point: 0.16868019104003906 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.357909575996686 (1.16097% change) linmin: converged after 4 iterations. iteration 2: trace = 4.317128641663713 (0.94019% change) linmin: converged after 4 iterations. iteration 3: trace = 4.299320136589965 (0.413361% change) linmin: converged after 4 iterations. iteration 4: trace = 4.292732191285522 (0.15335% change) linmin: converged after 4 iterations. iteration 5: trace = 4.291500652316352 (0.028693% change) linmin: converged after 4 iterations. iteration 6: trace = 4.291042414673696 (0.0106784% change) linmin: converged after 4 iterations. iteration 7: trace = 4.290902808716371 (0.00325348% change) linmin: converged after 6 iterations. iteration 8: trace = 4.2908721193893 (0.000715221% change) linmin: converged after 5 iterations. iteration 9: trace = 4.29086322736101 (0.000207231% change) linmin: converged after 5 iterations. iteration 10: trace = 4.290859496337257 (8.69528e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.290858035134088 (3.40539e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.290857390244804 (1.50294e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.290857285462815 (2.44198e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.290857271945756 (3.1502e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.290857267538623 (1.0271e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 4.290857264553208 (6.95762e-08% change) linmin: converged after 11 iterations. iteration 17: trace = 4.290857263488306 (2.48179e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 4.290857263235813 (5.88445e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 4.290857263156709 (1.84354e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 4.290857263115525 (9.59807e-10% change) linmin: converged after 3 iterations. iteration 21: trace = 4.290857263096176 (4.50935e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.290857263085615 (2.46136e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.290857263081678 (9.17394e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0643671, 0.518896, 0.552617, 0.579095, 0.812721, 0.852958, 0.941428, 1.04995 elapsed time for k point: 0.08002638816833496 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 4.213083007783039 (0.515635% change) linmin: converged after 4 iterations. iteration 2: trace = 4.209110336657865 (0.0943382% change) linmin: converged after 4 iterations. iteration 3: trace = 4.208519740783887 (0.0140324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.208361881259739 (0.00375102% change) linmin: converged after 9 iterations. iteration 5: trace = 4.208319555170494 (0.00100577% change) linmin: converged after 5 iterations. iteration 6: trace = 4.208309586621548 (0.000236877% change) linmin: converged after 20 iterations. iteration 7: trace = 4.208308119593188 (3.48603e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.208307969493156 (3.56675e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.2083079596792 (2.33204e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.208307958636428 (2.47789e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.208307958537226 (2.35728e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.208307958520758 (3.91314e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 4.208307958519128 (3.87494e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.126061, 0.48795, 0.553991, 0.610359, 0.812384, 0.849484, 0.912816, 1.02959 elapsed time for k point: 0.04603075981140137 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.153950019179923 (0.446607% change) linmin: converged after 4 iterations. iteration 2: trace = 4.15091918802987 (0.0729893% change) linmin: converged after 4 iterations. iteration 3: trace = 4.15050869675084 (0.00988965% change) linmin: converged after 4 iterations. iteration 4: trace = 4.150451660631781 (0.00137421% change) linmin: converged after 6 iterations. iteration 5: trace = 4.150445322388979 (0.000152712% change) linmin: converged after 4 iterations. iteration 6: trace = 4.150444374952527 (2.28273e-05% change) linmin: converged after 38 iterations. iteration 7: trace = 4.150444119567911 (6.15319e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.150444028145889 (2.2027e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.150444017167716 (2.64506e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.150444015934402 (2.97152e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.150444015836717 (2.35361e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.150444015829235 (1.8027e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.150444015828805 (1.03574e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.181523, 0.45665, 0.555709, 0.644685, 0.802314, 0.845326, 0.880698, 1.025 elapsed time for k point: 0.053614139556884766 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.123910812539464 (0.437379% change) linmin: converged after 4 iterations. iteration 2: trace = 4.120357431810314 (0.0862025% change) linmin: converged after 4 iterations. iteration 3: trace = 4.11975343523068 (0.0146599% change) linmin: converged after 12 iterations. iteration 4: trace = 4.119635726773534 (0.00285721% change) linmin: converged after 5 iterations. iteration 5: trace = 4.119609536145701 (0.000635753% change) linmin: converged after 5 iterations. iteration 6: trace = 4.119601717815895 (0.000189783% change) linmin: converged after 5 iterations. iteration 7: trace = 4.119598937494709 (6.74901e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.119598626308932 (7.55379e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.119598600539519 (6.25532e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.119598598763422 (4.31134e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.119598598629699 (3.24603e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.119598598622139 (1.83496e-10% change) linmin: converged after 9 iterations. iteration 13: trace = 4.119598598621693 (1.08446e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.224302, 0.429317, 0.557116, 0.682524, 0.772176, 0.842059, 0.865404, 1.0269 elapsed time for k point: 0.04526543617248535 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.117165244646566 (0.467232% change) linmin: converged after 5 iterations. iteration 2: trace = 4.112183070107313 (0.121083% change) linmin: converged after 4 iterations. iteration 3: trace = 4.111188770166868 (0.0241823% change) linmin: converged after 4 iterations. iteration 4: trace = 4.110889360751742 (0.00728306% change) linmin: converged after 6 iterations. iteration 5: trace = 4.11080703996452 (0.00200253% change) linmin: converged after 7 iterations. iteration 6: trace = 4.110783674084841 (0.000568403% change) linmin: converged after 5 iterations. iteration 7: trace = 4.110777732801953 (0.000144529% change) linmin: converged after 2 iterations. iteration 8: trace = 4.110777279787365 (1.10202e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.110777245125225 (8.43202e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.110777242910481 (5.38765e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.110777242738061 (4.19433e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.110777242727878 (2.47714e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.110777242725122 (6.70437e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.241821, 0.417114, 0.557658, 0.713395, 0.741311, 0.84083, 0.862516, 1.02856 elapsed time for k point: 0.06156182289123535 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.110059673681176 (0.898081% change) linmin: converged after 5 iterations. iteration 2: trace = 4.101196127928676 (0.215888% change) linmin: converged after 4 iterations. iteration 3: trace = 4.099627971489972 (0.0382439% change) linmin: converged after 4 iterations. iteration 4: trace = 4.099504340254176 (0.00301572% change) linmin: converged after 5 iterations. iteration 5: trace = 4.099491102143227 (0.00032292% change) linmin: converged after 2 iterations. iteration 6: trace = 4.099490015388635 (2.65095e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.099489970449423 (1.09621e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.09948996603966 (1.07569e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.099489964533704 (3.67352e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.099489964290493 (5.93271e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.099489964275826 (3.57785e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.0994899642748 (2.50237e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.245235, 0.4236, 0.551085, 0.711571, 0.749855, 0.841982, 0.862609, 1.01714 elapsed time for k point: 0.07636547088623047 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.085144174621296 (0.762403% change) linmin: converged after 5 iterations. iteration 2: trace = 4.08011930367582 (0.123079% change) linmin: converged after 4 iterations. iteration 3: trace = 4.079494012385525 (0.0153265% change) linmin: converged after 4 iterations. iteration 4: trace = 4.079455619800634 (0.000941116% change) linmin: converged after 4 iterations. iteration 5: trace = 4.079453223619909 (5.87378e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.079452946245483 (6.7993e-06% change) linmin: converged after 4 iterations. iteration 7: trace = 4.07945290434498 (1.02711e-06% change) linmin: converged after 4 iterations. iteration 8: trace = 4.079452897007465 (1.79865e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.079452895879314 (2.76545e-08% change) linmin: converged after 5 iterations. iteration 10: trace = 4.079452895806834 (1.7767e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.079452895803481 (8.21893e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.25442, 0.441321, 0.535034, 0.706018, 0.772267, 0.845818, 0.862861, 0.989395 elapsed time for k point: 0.05701923370361328 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.072736189550774 (0.634086% change) linmin: converged after 4 iterations. iteration 2: trace = 4.069415883231338 (0.0815584% change) linmin: converged after 4 iterations. iteration 3: trace = 4.068882752148268 (0.0131018% change) linmin: converged after 5 iterations. iteration 4: trace = 4.068777004347965 (0.00259897% change) linmin: converged after 4 iterations. iteration 5: trace = 4.068760919591241 (0.000395322% change) linmin: converged after 5 iterations. iteration 6: trace = 4.06875937327654 (3.80046e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.068759282973239 (2.21943e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.068759277104999 (1.44227e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.068759276275498 (2.03871e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.068759276139259 (3.34843e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.068759276129624 (2.36803e-10% change) linmin: converged after 17 iterations. iteration 12: trace = 4.068759276129136 (1.19842e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.266397, 0.465222, 0.516482, 0.697068, 0.802974, 0.853388, 0.863228, 0.954203 elapsed time for k point: 0.041939735412597656 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.08041013089164 (0.563614% change) linmin: converged after 4 iterations. iteration 2: trace = 4.077287055235417 (0.0765676% change) linmin: converged after 5 iterations. iteration 3: trace = 4.076189573111655 (0.0269206% change) linmin: converged after 4 iterations. iteration 4: trace = 4.075628903758915 (0.0137557% change) linmin: converged after 4 iterations. iteration 5: trace = 4.075534314324658 (0.00232088% change) linmin: converged after 5 iterations. iteration 6: trace = 4.075527488473313 (0.000167484% change) linmin: converged after 5 iterations. iteration 7: trace = 4.075526996525165 (1.20708e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.075526953563658 (1.05413e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.075526950544544 (7.40791e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.075526949795472 (1.83798e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.075526949476022 (7.83823e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 4.075526949369352 (2.61734e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.075526949350733 (4.56846e-10% change) linmin: converged after 3 iterations. iteration 14: trace = 4.075526949349669 (2.6108e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.276774, 0.48701, 0.501823, 0.687264, 0.837704, 0.86397, 0.865932, 0.916273 elapsed time for k point: 0.04833507537841797 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.109437150043243 (0.504849% change) linmin: converged after 5 iterations. iteration 2: trace = 4.105335792815202 (0.0998532% change) linmin: converged after 6 iterations. iteration 3: trace = 4.100307330549152 (0.122561% change) linmin: converged after 5 iterations. iteration 4: trace = 4.093803283589705 (0.158749% change) linmin: converged after 3 iterations. iteration 5: trace = 4.092241780664407 (0.0381504% change) linmin: converged after 4 iterations. iteration 6: trace = 4.092157123982815 (0.00206873% change) linmin: converged after 5 iterations. iteration 7: trace = 4.092151257465511 (0.00014336% change) linmin: converged after 5 iterations. iteration 8: trace = 4.0921506669632 (1.44301e-05% change) linmin: converged after 29 iterations. iteration 9: trace = 4.092150601221075 (1.60654e-06% change) linmin: converged after 5 iterations. iteration 10: trace = 4.092150512656763 (2.16425e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 4.09215044281785 (1.70666e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 4.092150434447509 (2.04546e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.092150433678662 (1.87883e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.092150433621977 (1.38522e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.092150433618236 (9.14191e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.280948, 0.496196, 0.496197, 0.682617, 0.859474, 0.878316, 0.878316, 0.879351 elapsed time for k point: 0.052376747131347656 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.126496078681969 (1.11623% change) linmin: converged after 6 iterations. iteration 2: trace = 4.089161341909401 (0.908868% change) linmin: converged after 5 iterations. iteration 3: trace = 4.060628566573646 (0.700209% change) linmin: converged after 5 iterations. iteration 4: trace = 4.050071416799578 (0.260326% change) linmin: converged after 5 iterations. iteration 5: trace = 4.047172154678076 (0.0716111% change) linmin: converged after 4 iterations. iteration 6: trace = 4.046719139224234 (0.011194% change) linmin: converged after 11 iterations. iteration 7: trace = 4.046656969292219 (0.00153632% change) linmin: converged after 5 iterations. iteration 8: trace = 4.046652828279984 (0.000102332% change) linmin: converged after 3 iterations. iteration 9: trace = 4.046652402979405 (1.05099e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.04665226257679 (3.4696e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 4.046652203574181 (1.45806e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 4.04665218541018 (4.48865e-07% change) linmin: converged after 23 iterations. iteration 13: trace = 4.046652183788301 (4.00795e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.046652183683065 (2.60056e-09% change) linmin: converged after 4 iterations. iteration 15: trace = 4.046652183677345 (1.41348e-10% change) linmin: converged after 16 iterations. iteration 16: trace = 4.046652183676483 (2.1312e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.27141, 0.485365, 0.501693, 0.689111, 0.830636, 0.844978, 0.893706, 0.898991 elapsed time for k point: 0.05541491508483887 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.050135770394939 (0.874564% change) linmin: converged after 5 iterations. iteration 2: trace = 4.045155903188745 (0.123031% change) linmin: converged after 7 iterations. iteration 3: trace = 4.04457112881917 (0.0144572% change) linmin: converged after 4 iterations. iteration 4: trace = 4.044524919705128 (0.0011425% change) linmin: converged after 5 iterations. iteration 5: trace = 4.044514961032788 (0.000246226% change) linmin: converged after 5 iterations. iteration 6: trace = 4.044513397485701 (3.86585e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.04451325570943 (3.5054e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.044513238601187 (4.22999e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.044513236602917 (4.94069e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.044513236418492 (4.55988e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.044513236398149 (5.02974e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.044513236396847 (3.21935e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.236529, 0.473888, 0.515941, 0.679199, 0.819377, 0.829518, 0.897603, 0.933446 elapsed time for k point: 0.04204607009887695 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.118867255840204 (0.847851% change) linmin: converged after 5 iterations. iteration 2: trace = 4.114002611070052 (0.118176% change) linmin: converged after 4 iterations. iteration 3: trace = 4.113487291394074 (0.0125268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.113430197532734 (0.00138798% change) linmin: converged after 5 iterations. iteration 5: trace = 4.113416441704805 (0.000334413% change) linmin: converged after 2 iterations. iteration 6: trace = 4.113415367601677 (2.61122e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.113415271030414 (2.34771e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.113415260853634 (2.47405e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.113415259902214 (2.31297e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.113415259769443 (3.22776e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.113415259756536 (3.13778e-10% change) linmin: converged after 2 iterations. iteration 12: trace = 4.11341525975549 (2.54357e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.172884, 0.482973, 0.533242, 0.640233, 0.819202, 0.838111, 0.910409, 0.976551 elapsed time for k point: 0.050549983978271484 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.250028477177 (0.917879% change) linmin: converged after 5 iterations. iteration 2: trace = 4.242313588668811 (0.18169% change) linmin: converged after 4 iterations. iteration 3: trace = 4.241112167052032 (0.028324% change) linmin: converged after 4 iterations. iteration 4: trace = 4.240834092995955 (0.00655685% change) linmin: converged after 4 iterations. iteration 5: trace = 4.240767169311717 (0.00157809% change) linmin: converged after 5 iterations. iteration 6: trace = 4.240753129287403 (0.000331073% change) linmin: converged after 5 iterations. iteration 7: trace = 4.240750094772398 (7.15561e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.240749691476934 (9.51e-06% change) linmin: converged after 33 iterations. iteration 9: trace = 4.240749647343285 (1.0407e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.240749642492671 (1.14381e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.240749642080627 (9.71629e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.240749642034733 (1.08221e-09% change) linmin: converged after 4 iterations. iteration 13: trace = 4.240749642029137 (1.31968e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.240749642028246 (2.10067e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0904174, 0.510404, 0.546943, 0.593803, 0.81373, 0.851132, 0.935551, 1.02882 elapsed time for k point: 0.051596641540527344 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.407939681690654 (1.14495% change) linmin: converged after 5 iterations. iteration 2: trace = 4.390606022122198 (0.394012% change) linmin: converged after 5 iterations. iteration 3: trace = 4.386367409936335 (0.0965848% change) linmin: converged after 5 iterations. iteration 4: trace = 4.384518225127845 (0.0421664% change) linmin: converged after 5 iterations. iteration 5: trace = 4.382809892382419 (0.0389704% change) linmin: converged after 5 iterations. iteration 6: trace = 4.380355369238089 (0.0560191% change) linmin: converged after 5 iterations. iteration 7: trace = 4.377811906462298 (0.0580821% change) linmin: converged after 5 iterations. iteration 8: trace = 4.375795817305982 (0.046063% change) linmin: converged after 4 iterations. iteration 9: trace = 4.374248315398593 (0.0353713% change) linmin: converged after 3 iterations. iteration 10: trace = 4.373812357837435 (0.00996695% change) linmin: converged after 3 iterations. iteration 11: trace = 4.373736281003573 (0.00173939% change) linmin: converged after 5 iterations. iteration 12: trace = 4.373725631015397 (0.000243499% change) linmin: converged after 4 iterations. iteration 13: trace = 4.373723713248079 (4.38475e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.373723043717632 (1.5308e-05% change) linmin: converged after 9 iterations. iteration 15: trace = 4.373722607982313 (9.96257e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.373722430078789 (4.06755e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.373722281618466 (3.39437e-06% change) large trace change predicted (8.38717e-06%) linmin: converged after 5 iterations. iteration 18: trace = 4.373721914772871 (8.38749e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.373721775011068 (3.19549e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.373721750853678 (5.5233e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.373721743706459 (1.63413e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.373721741956021 (4.00217e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.373721741656272 (6.8534e-09% change) linmin: converged after 6 iterations. iteration 24: trace = 4.37372174151351 (3.26409e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.373721741466444 (1.0761e-09% change) linmin: converged after 9 iterations. iteration 26: trace = 4.373721741452075 (3.28549e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 4.373721741432764 (4.41518e-10% change) large trace change predicted (8.94441e-10%) linmin: converged after 10 iterations. iteration 28: trace = 4.373721741393643 (8.94449e-10% change) linmin: converged after 12 iterations. iteration 29: trace = 4.373721741340017 (1.22611e-09% change) linmin: converged after 3 iterations. iteration 30: trace = 4.37372174131413 (5.91872e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.37372174130407 (2.29999e-10% change) large trace change predicted (8.8515e-10%) linmin: converged after 4 iterations. iteration 32: trace = 4.373721741265362 (8.85026e-10% change) large trace change predicted (1.78977e-09%) linmin: converged after 3 iterations. iteration 33: trace = 4.373721741187082 (1.78977e-09% change) linmin: converged after 2 iterations. iteration 34: trace = 4.373721741036555 (3.44162e-09% change) large trace change predicted (3.16488e-08%) linmin: converged after 4 iterations. iteration 35: trace = 4.373721739652334 (3.16486e-08% change) large trace change predicted (1.81295e-07%) linmin: converged after 4 iterations. iteration 36: trace = 4.373721731723725 (1.81278e-07% change) large trace change predicted (7.42215e-07%) linmin: converged after 4 iterations. iteration 37: trace = 4.373721699293694 (7.41474e-07% change) large trace change predicted (1.81306e-06%) linmin: converged after 7 iterations. iteration 38: trace = 4.373721620557427 (1.80021e-06% change) large trace change predicted (3.99382e-06%) linmin: converged after 7 iterations. iteration 39: trace = 4.373721449599707 (3.90875e-06% change) linmin: converged after 16 iterations. iteration 40: trace = 4.373721351488157 (2.24321e-06% change) linmin: converged after 9 iterations. iteration 41: trace = 4.373721289289993 (1.42209e-06% change) linmin: converged after 7 iterations. iteration 42: trace = 4.373721192919876 (2.20339e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 4.373721122950544 (1.59977e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 4.37372102588002 (2.2194e-06% change) linmin: converged after 6 iterations. iteration 45: trace = 4.373720919585161 (2.43031e-06% change) linmin: converged after 3 iterations. iteration 46: trace = 4.373720871332154 (1.10325e-06% change) linmin: converged after 10 iterations. iteration 47: trace = 4.373720860378917 (2.50433e-07% change) linmin: converged after 13 iterations. iteration 48: trace = 4.373720857832792 (5.82142e-08% change) linmin: converged after 8 iterations. iteration 49: trace = 4.373720856551008 (2.93065e-08% change) linmin: converged after 4 iterations. iteration 50: trace = 4.373720854512562 (4.66067e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.373720852662255 (4.23051e-08% change) linmin: converged after 18 iterations. iteration 52: trace = 4.373720851889837 (1.76604e-08% change) linmin: converged after 7 iterations. iteration 53: trace = 4.373720851692727 (4.50671e-09% change) linmin: converged after 4 iterations. iteration 54: trace = 4.373720851644104 (1.1117e-09% change) linmin: converged after 4 iterations. iteration 55: trace = 4.373720851631798 (2.81376e-10% change) linmin: converged after 19 iterations. iteration 56: trace = 4.37372085162005 (2.68603e-10% change) linmin: converged after 28 iterations. iteration 57: trace = 4.373720851604448 (3.56716e-10% change) linmin: converged after 16 iterations. iteration 58: trace = 4.373720851597927 (1.49095e-10% change) linmin: converged after 16 iterations. iteration 59: trace = 4.373720851594072 (8.81331e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.546027, 0.552094, 0.552096, 0.812093, 0.854314, 0.951107, 1.08259 .elapsed time for k point: 0.19019412994384766 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28094795352537366 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4171142493246621 at Vector3<0.5, 0.0, 0.0> to 0.5460267793370297 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.49619745276546057 at Vector3<0.5, 0.5, 0.0> to 0.5576576362977227 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5520955864542504 at Vector3<0.0, 0.0, 0.0> to 0.7133951516423509 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7413109657068668 at Vector3<0.5, 0.0, 0.0> to 0.8594741069571235 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8295176150251512 at Vector3<0.3, 0.3, 0.0> to 0.8783155473463775 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8625159053811313 at Vector3<0.5, 0.0, 0.0> to 0.9511074539064004 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8793510958294796 at Vector3<0.5, 0.5, 0.0> to 1.0825923841449998 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28094795352537366) to band 2 (0.4171142493246621), 39.0126539564386% Gap from band 4 (0.7133951516423509) to band 5 (0.7413109657068668), 3.8380005049245893% total elapsed time for run: 1.1236374378204346 done /tmp/meepakjAzV/test_run_tm-0: 1.12s /tmp/meepakjAzV/test_set_eigenvectors-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013544559478759766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.3021528720855713 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.5533320903778076 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.11498212814331055 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.18246245384216309 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.19384384155273438 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1906297206878662 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.1972808837890625 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.21855449676513672 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.16341161727905273 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07860898971557617 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07878780364990234 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06635451316833496 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07210683822631836 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10021233558654785 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11634111404418945 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.25526905059814453 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.886979103088379 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0013544559478759766 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.1560523509979248 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.7606363296508789 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.18399310111999512 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.16845226287841797 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.19728350639343262 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.2888522148132324 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11435413360595703 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09704089164733887 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08352184295654297 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07843995094299316 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07989096641540527 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.06203436851501465 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.07358551025390625 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.1141042709350586 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.1215674877166748 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.26728343963623047 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.849735975265503 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015652179718017578 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.15481805801391602 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.4098527431488037 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.08866524696350098 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.13446998596191406 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.1921544075012207 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.3419506549835205 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.2298283576965332 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.19274020195007324 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.16388487815856934 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.15627789497375488 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.16428828239440918 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.12665939331054688 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.14484643936157227 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.20293974876403809 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.19016647338867188 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 .elapsed time for k point: 0.26404786109924316 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 3.1604602336883545 done /tmp/meepakjAzV/test_set_eigenvectors-0: 8.90s /tmp/meepakjAzV/test_sq_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014176368713378906 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 16.67252686302908 (193.833% change) linmin: converged after 9 iterations. iteration 2: trace = 7.425605351690049 (76.7439% change) linmin: converged after 5 iterations. iteration 3: trace = 6.413529606638005 (14.6263% change) linmin: converged after 5 iterations. iteration 4: trace = 5.997870542994756 (6.69802% change) linmin: converged after 6 iterations. iteration 5: trace = 5.79224276091566 (3.48814% change) linmin: converged after 6 iterations. iteration 6: trace = 5.704204927742786 (1.53157% change) linmin: converged after 5 iterations. iteration 7: trace = 5.662063364719285 (0.74152% change) linmin: converged after 5 iterations. iteration 8: trace = 5.645383220801679 (0.295029% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636808514863864 (0.152004% change) linmin: converged after 5 iterations. iteration 10: trace = 5.632389510950197 (0.0784262% change) linmin: converged after 4 iterations. iteration 11: trace = 5.630973803281849 (0.0251383% change) linmin: converged after 4 iterations. iteration 12: trace = 5.630304289828852 (0.0118905% change) linmin: converged after 4 iterations. iteration 13: trace = 5.629948267451506 (0.00632352% change) linmin: converged after 5 iterations. iteration 14: trace = 5.629707527279325 (0.00427616% change) linmin: converged after 4 iterations. iteration 15: trace = 5.629494146577414 (0.00379033% change) linmin: converged after 5 iterations. iteration 16: trace = 5.629334770611416 (0.00283113% change) linmin: converged after 6 iterations. iteration 17: trace = 5.629195179750856 (0.00247974% change) linmin: converged after 5 iterations. iteration 18: trace = 5.629089143354889 (0.0018837% change) linmin: converged after 5 iterations. iteration 19: trace = 5.629015210328871 (0.00131342% change) linmin: converged after 6 iterations. iteration 20: trace = 5.628955227218207 (0.00106561% change) linmin: converged after 11 iterations. iteration 21: trace = 5.628918234635336 (0.000657186% change) linmin: converged after 4 iterations. iteration 22: trace = 5.628892160266109 (0.000463223% change) linmin: converged after 4 iterations. iteration 23: trace = 5.628877918707712 (0.000253009% change) linmin: converged after 5 iterations. iteration 24: trace = 5.62887054067606 (0.000131075% change) linmin: converged after 5 iterations. iteration 25: trace = 5.628866521545895 (7.14021e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 5.628864944361903 (2.80196e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 5.628864428335529 (9.1675e-06% change) linmin: converged after 7 iterations. iteration 28: trace = 5.62886425401095 (3.09698e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 5.628864199206571 (9.73631e-07% change) linmin: converged after 4 iterations. iteration 30: trace = 5.628864180871537 (3.25732e-07% change) linmin: converged after 4 iterations. iteration 31: trace = 5.628864174355813 (1.15756e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 5.628864171803267 (4.53475e-08% change) linmin: converged after 4 iterations. iteration 33: trace = 5.628864170678066 (1.99898e-08% change) linmin: converged after 4 iterations. iteration 34: trace = 5.628864170196785 (8.55023e-09% change) linmin: converged after 15 iterations. iteration 35: trace = 5.628864169964668 (4.12368e-09% change) linmin: converged after 12 iterations. iteration 36: trace = 5.628864169778796 (3.30212e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.628864169602519 (3.13167e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.62886416940592 (3.4927e-09% change) linmin: converged after 6 iterations. iteration 39: trace = 5.628864169253106 (2.71482e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.628864169153889 (1.76264e-09% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628864169097572 (1.00051e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.628864169061677 (6.37692e-10% change) linmin: converged after 5 iterations. iteration 43: trace = 5.628864169036878 (4.40565e-10% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628864169022913 (2.48093e-10% change) linmin: converged after 6 iterations. iteration 45: trace = 5.628864169016424 (1.15281e-10% change) linmin: converged after 3 iterations. iteration 46: trace = 5.628864169013057 (5.98182e-11% change) Finished solving for bands 2 to 8 after 46 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.13789033889770508 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 14 iterations. iteration 1: trace = 5.662598383811167 (0.236431% change) linmin: converged after 4 iterations. iteration 2: trace = 5.655498054240403 (0.125469% change) linmin: converged after 3 iterations. iteration 3: trace = 5.653351656918011 (0.0379596% change) linmin: converged after 3 iterations. iteration 4: trace = 5.652109656699427 (0.0219717% change) linmin: converged after 4 iterations. iteration 5: trace = 5.651455832959613 (0.0115685% change) linmin: converged after 3 iterations. iteration 6: trace = 5.650961670354926 (0.00874437% change) linmin: converged after 4 iterations. iteration 7: trace = 5.650673951221756 (0.00509164% change) linmin: converged after 3 iterations. iteration 8: trace = 5.650503338619175 (0.00301938% change) linmin: converged after 3 iterations. iteration 9: trace = 5.650430417719853 (0.00129053% change) linmin: converged after 4 iterations. iteration 10: trace = 5.650387262435861 (0.000763755% change) linmin: converged after 6 iterations. iteration 11: trace = 5.650369556589035 (0.000313357% change) linmin: converged after 5 iterations. iteration 12: trace = 5.650362805815968 (0.000119475% change) linmin: converged after 3 iterations. iteration 13: trace = 5.650360400668589 (4.25663e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 5.650359822550923 (1.02315e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.650359570379916 (4.46292e-06% change) linmin: converged after 3 iterations. iteration 16: trace = 5.650359460721299 (1.94074e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.650359418358622 (7.49734e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 5.650359402314912 (2.83941e-07% change) linmin: converged after 38 iterations. iteration 19: trace = 5.650359397610181 (8.32643e-08% change) linmin: converged after 13 iterations. iteration 20: trace = 5.650359395697382 (3.38527e-08% change) linmin: converged after 7 iterations. iteration 21: trace = 5.650359394584283 (1.96996e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.650359393286076 (2.29757e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.650359391538196 (3.09339e-08% change) linmin: converged after 6 iterations. iteration 24: trace = 5.650359389901621 (2.89641e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 5.650359388475083 (2.52469e-08% change) linmin: converged after 3 iterations. iteration 26: trace = 5.650359386379993 (3.70789e-08% change) large trace change predicted (9.58039e-08%) linmin: converged after 5 iterations. iteration 27: trace = 5.650359380966579 (9.58065e-08% change) near maximum in trace linmin: converged after 15 iterations. iteration 28: trace = 5.650291267622267 (0.00120548% change) linmin: converged after 6 iterations. iteration 29: trace = 5.650291192580686 (1.3281e-06% change) linmin: converged after 6 iterations. iteration 30: trace = 5.65029111828439 (1.31491e-06% change) linmin: converged after 6 iterations. iteration 31: trace = 5.650291044755035 (1.30134e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.650290972006891 (1.28751e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.650290900047981 (1.27354e-06% change) linmin: converged after 11 iterations. iteration 34: trace = 5.650290828881055 (1.25953e-06% change) linmin: converged after 5 iterations. iteration 35: trace = 5.650290758504497 (1.24554e-06% change) linmin: converged after 5 iterations. iteration 36: trace = 5.650290688913006 (1.23164e-06% change) linmin: converged after 5 iterations. iteration 37: trace = 5.650290620098408 (1.21789e-06% change) linmin: converged after 6 iterations. iteration 38: trace = 5.650290552050093 (1.20433e-06% change) linmin: converged after 18 iterations. iteration 39: trace = 5.650290484755575 (1.19099e-06% change) linmin: converged after 6 iterations. iteration 40: trace = 5.650290418200888 (1.1779e-06% change) linmin: converged after 6 iterations. iteration 41: trace = 5.650290352370963 (1.16507e-06% change) linmin: converged after 9 iterations. iteration 42: trace = 5.650290287249877 (1.15253e-06% change) linmin: converged after 13 iterations. iteration 43: trace = 5.650290222821092 (1.14027e-06% change) linmin: converged after 4 iterations. iteration 44: trace = 5.650290159067736 (1.12832e-06% change) linmin: converged after 8 iterations. iteration 45: trace = 5.650290095972685 (1.11667e-06% change) linmin: converged after 8 iterations. iteration 46: trace = 5.650290033518802 (1.10532e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.650289971688902 (1.09428e-06% change) linmin: converged after 5 iterations. iteration 48: trace = 5.650289910466009 (1.08354e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.650289849833287 (1.07309e-06% change) linmin: converged after 8 iterations. iteration 50: trace = 5.650289789774213 (1.06294e-06% change) linmin: converged after 13 iterations. iteration 51: trace = 5.650289730272561 (1.05307e-06% change) linmin: converged after 8 iterations. iteration 52: trace = 5.650289671296088 (1.04378e-06% change) linmin: converged after 6 iterations. iteration 53: trace = 5.650289612861914 (1.03418e-06% change) linmin: converged after 8 iterations. iteration 54: trace = 5.650289554938581 (1.02514e-06% change) linmin: converged after 5 iterations. iteration 55: trace = 5.650289497495159 (1.01665e-06% change) linmin: converged after 13 iterations. iteration 56: trace = 5.650289440549649 (1.00783e-06% change) linmin: converged after 6 iterations. iteration 57: trace = 5.650289384071982 (9.99554e-07% change) linmin: converged after 5 iterations. iteration 58: trace = 5.650289328048608 (9.91513e-07% change) linmin: converged after 11 iterations. iteration 59: trace = 5.650289272466417 (9.83705e-07% change) linmin: converged after 7 iterations. iteration 60: trace = 5.650289217312721 (9.76122e-07% change) linmin: converged after 8 iterations. iteration 61: trace = 5.65028916256365 (9.68961e-07% change) linmin: converged after 13 iterations. iteration 62: trace = 5.650289108230337 (9.61602e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 5.650289054289503 (9.54656e-07% change) linmin: converged after 11 iterations. iteration 64: trace = 5.650289000730409 (9.479e-07% change) linmin: converged after 7 iterations. iteration 65: trace = 5.650288947538981 (9.41393e-07% change) linmin: converged after 7 iterations. iteration 66: trace = 5.650288894702843 (9.35105e-07% change) linmin: converged after 11 iterations. iteration 67: trace = 5.650288842216428 (9.28916e-07% change) linmin: converged after 5 iterations. iteration 68: trace = 5.65028879007867 (9.22745e-07% change) linmin: converged after 5 iterations. iteration 69: trace = 5.650288738271742 (9.1689e-07% change) resetting CG direction... large trace change predicted (0.0219511%) linmin: converged after 4 iterations. iteration 70: trace = 5.64903032302802 (0.0222742% change) linmin: converged after 3 iterations. iteration 71: trace = 5.648291212742171 (0.0130847% change) linmin: converged after 4 iterations. iteration 72: trace = 5.647952501326173 (0.00599689% change) linmin: converged after 4 iterations. iteration 73: trace = 5.647729842650739 (0.00394237% change) linmin: converged after 4 iterations. iteration 74: trace = 5.647486194152222 (0.00431419% change) linmin: converged after 4 iterations. iteration 75: trace = 5.647157356579553 (0.00582289% change) linmin: converged after 4 iterations. iteration 76: trace = 5.646835731077392 (0.00569551% change) linmin: converged after 4 iterations. iteration 77: trace = 5.646550214966825 (0.00505634% change) linmin: converged after 4 iterations. iteration 78: trace = 5.646220512186881 (0.00583918% change) large trace change predicted (0.0119209%) linmin: converged after 4 iterations. iteration 79: trace = 5.64551507554342 (0.0124947% change) large trace change predicted (0.0250175%) linmin: converged after 4 iterations. iteration 80: trace = 5.644058656681537 (0.0258011% change) linmin: converged after 7 iterations. iteration 81: trace = 5.642273131390932 (0.0316405% change) linmin: converged after 5 iterations. iteration 82: trace = 5.640697904059197 (0.0279222% change) linmin: converged after 7 iterations. iteration 83: trace = 5.63984485797904 (0.0151242% change) linmin: converged after 4 iterations. iteration 84: trace = 5.639288313336282 (0.00986857% change) linmin: converged after 4 iterations. iteration 85: trace = 5.638902602410139 (0.00683994% change) linmin: converged after 3 iterations. iteration 86: trace = 5.638726948718296 (0.00311508% change) linmin: converged after 3 iterations. iteration 87: trace = 5.638638858011665 (0.00156226% change) linmin: converged after 3 iterations. iteration 88: trace = 5.638595369382163 (0.000771264% change) linmin: converged after 3 iterations. iteration 89: trace = 5.638570484323941 (0.000441335% change) linmin: converged after 3 iterations. iteration 90: trace = 5.638555861747498 (0.000259332% change) linmin: converged after 3 iterations. iteration 91: trace = 5.638546191837316 (0.000171496% change) linmin: converged after 4 iterations. iteration 92: trace = 5.638539563345949 (0.000117557% change) linmin: converged after 3 iterations. iteration 93: trace = 5.638535838298758 (6.60641e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 5.638534036457183 (3.19558e-05% change) linmin: converged after 4 iterations. iteration 95: trace = 5.638532920712363 (1.97879e-05% change) linmin: converged after 7 iterations. iteration 96: trace = 5.638532011416613 (1.61265e-05% change) linmin: converged after 3 iterations. iteration 97: trace = 5.638531072732994 (1.66477e-05% change) linmin: converged after 6 iterations. iteration 98: trace = 5.638530025006578 (1.85816e-05% change) linmin: converged after 3 iterations. iteration 99: trace = 5.638528496977349 (2.70998e-05% change) linmin: converged after 5 iterations. iteration 100: trace = 5.638526248322741 (3.98802e-05% change) linmin: converged after 5 iterations. iteration 101: trace = 5.638523965074012 (4.04937e-05% change) linmin: converged after 5 iterations. iteration 102: trace = 5.638521697364039 (4.02182e-05% change) linmin: converged after 13 iterations. iteration 103: trace = 5.638518648988574 (5.40634e-05% change) linmin: converged after 10 iterations. iteration 104: trace = 5.638516668758926 (3.51197e-05% change) linmin: converged after 3 iterations. iteration 105: trace = 5.638515788106401 (1.56185e-05% change) linmin: converged after 3 iterations. iteration 106: trace = 5.638515475587027 (5.54258e-06% change) linmin: converged after 5 iterations. iteration 107: trace = 5.638515353510284 (2.16505e-06% change) linmin: converged after 12 iterations. iteration 108: trace = 5.638515290917348 (1.1101e-06% change) linmin: converged after 2 iterations. iteration 109: trace = 5.638515251394711 (7.0094e-07% change) linmin: converged after 17 iterations. iteration 110: trace = 5.638515230497352 (3.70618e-07% change) linmin: converged after 4 iterations. iteration 111: trace = 5.638515218975298 (2.04346e-07% change) linmin: converged after 25 iterations. iteration 112: trace = 5.638515214529265 (7.88511e-08% change) linmin: converged after 16 iterations. iteration 113: trace = 5.638515212755617 (3.1456e-08% change) linmin: converged after 4 iterations. iteration 114: trace = 5.638515211745045 (1.79227e-08% change) linmin: converged after 14 iterations. iteration 115: trace = 5.638515210945735 (1.41759e-08% change) linmin: converged after 11 iterations. iteration 116: trace = 5.638515210024359 (1.63408e-08% change) linmin: converged after 6 iterations. iteration 117: trace = 5.638515209011968 (1.79549e-08% change) linmin: converged after 3 iterations. iteration 118: trace = 5.638515207794927 (2.15844e-08% change) linmin: converged after 6 iterations. iteration 119: trace = 5.638515206516135 (2.26796e-08% change) linmin: converged after 4 iterations. iteration 120: trace = 5.638515205038356 (2.62087e-08% change) linmin: converged after 4 iterations. iteration 121: trace = 5.638515202931114 (3.73723e-08% change) linmin: converged after 6 iterations. iteration 122: trace = 5.638515200854903 (3.68219e-08% change) linmin: converged after 4 iterations. iteration 123: trace = 5.638515199087083 (3.13526e-08% change) linmin: converged after 5 iterations. iteration 124: trace = 5.638515198023093 (1.887e-08% change) linmin: converged after 4 iterations. iteration 125: trace = 5.638515197266766 (1.34136e-08% change) linmin: converged after 20 iterations. iteration 126: trace = 5.638515196709655 (9.88047e-09% change) linmin: converged after 5 iterations. iteration 127: trace = 5.638515196250812 (8.13765e-09% change) linmin: converged after 15 iterations. iteration 128: trace = 5.638515195990669 (4.61368e-09% change) linmin: converged after 7 iterations. iteration 129: trace = 5.638515195870576 (2.12987e-09% change) linmin: converged after 9 iterations. iteration 130: trace = 5.638515195810722 (1.06151e-09% change) linmin: converged after 8 iterations. iteration 131: trace = 5.638515195782563 (4.99417e-10% change) linmin: converged after 18 iterations. iteration 132: trace = 5.63851519576964 (2.29176e-10% change) linmin: converged after 3 iterations. iteration 133: trace = 5.63851519576392 (1.01459e-10% change) linmin: converged after 4 iterations. iteration 134: trace = 5.63851519575991 (7.11045e-11% change) Finished solving for bands 1 to 8 after 134 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897998, 0.56021, 0.767785, 0.782438, 0.912603, 1.00889, 1.00949, 1.11586 elapsed time for k point: 0.4965498447418213 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.610243836776812 (0.416683% change) linmin: converged after 3 iterations. iteration 2: trace = 5.599604920322789 (0.189814% change) linmin: converged after 4 iterations. iteration 3: trace = 5.596604913833221 (0.0535897% change) linmin: converged after 3 iterations. iteration 4: trace = 5.595662117729327 (0.0168473% change) linmin: converged after 3 iterations. iteration 5: trace = 5.595313265090729 (0.00623454% change) linmin: converged after 4 iterations. iteration 6: trace = 5.595227399874204 (0.0015346% change) linmin: converged after 14 iterations. iteration 7: trace = 5.59519831393708 (0.000519836% change) linmin: converged after 4 iterations. iteration 8: trace = 5.595186325956774 (0.000214255% change) linmin: converged after 3 iterations. iteration 9: trace = 5.595182011684434 (7.71069e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.595180202268774 (3.23388e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.595179604043117 (1.06918e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.595179391571373 (3.79741e-06% change) linmin: converged after 6 iterations. iteration 13: trace = 5.595179311138063 (1.43755e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.595179285473619 (4.58688e-07% change) linmin: converged after 24 iterations. iteration 15: trace = 5.595179276623078 (1.58182e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.595179273689021 (5.2439e-08% change) linmin: converged after 5 iterations. iteration 17: trace = 5.595179272904638 (1.40189e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.595179272581779 (5.77031e-09% change) linmin: converged after 4 iterations. iteration 19: trace = 5.595179272336521 (4.38338e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.595179272188361 (2.648e-09% change) linmin: converged after 12 iterations. iteration 21: trace = 5.595179272063358 (2.23411e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.595179271964549 (1.76598e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 5.595179271878047 (1.546e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.595179271843309 (6.20864e-10% change) linmin: converged after 12 iterations. iteration 25: trace = 5.59517927182701 (2.91304e-10% change) linmin: converged after 18 iterations. iteration 26: trace = 5.595179271819191 (1.39739e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 5.595179271816558 (4.70664e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178853, 0.553301, 0.732522, 0.786672, 0.890463, 1.01386, 1.02078, 1.11301 elapsed time for k point: 0.16212248802185059 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.589278769396838 (0.288852% change) linmin: converged after 4 iterations. iteration 2: trace = 5.582217264358345 (0.12642% change) linmin: converged after 4 iterations. iteration 3: trace = 5.579630100765367 (0.0463573% change) linmin: converged after 4 iterations. iteration 4: trace = 5.578713954553674 (0.0164208% change) linmin: converged after 4 iterations. iteration 5: trace = 5.578208746315653 (0.00905641% change) linmin: converged after 4 iterations. iteration 6: trace = 5.578027303291385 (0.00325276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.577942072907685 (0.00152798% change) linmin: converged after 3 iterations. iteration 8: trace = 5.577913363825518 (0.000514691% change) linmin: converged after 3 iterations. iteration 9: trace = 5.577905893250987 (0.000133931% change) linmin: converged after 4 iterations. iteration 10: trace = 5.577903978777093 (3.43225e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.577903462384925 (9.25782e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.57790335182199 (1.98216e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.577903319845038 (5.73279e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.577903310566395 (1.66346e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.577903307418651 (5.64324e-08% change) linmin: converged after 20 iterations. iteration 16: trace = 5.577903305861661 (2.79135e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.577903305185309 (1.21256e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.577903304857375 (5.87916e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.57790330471606 (2.53347e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.577903304686394 (5.31865e-10% change) linmin: converged after 2 iterations. iteration 21: trace = 5.577903304676377 (1.79581e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.577903304673043 (5.97596e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.266124, 0.534865, 0.689376, 0.79205, 0.872926, 1.0209, 1.04285, 1.10753 elapsed time for k point: 0.1572120189666748 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.607466984195186 (0.245114% change) linmin: converged after 5 iterations. iteration 2: trace = 5.600508098174442 (0.124177% change) linmin: converged after 4 iterations. iteration 3: trace = 5.597121607947972 (0.0604858% change) linmin: converged after 4 iterations. iteration 4: trace = 5.595549314424401 (0.0280951% change) linmin: converged after 4 iterations. iteration 5: trace = 5.594551452727512 (0.0178347% change) linmin: converged after 4 iterations. iteration 6: trace = 5.594215569329972 (0.00600394% change) linmin: converged after 4 iterations. iteration 7: trace = 5.594087068851766 (0.00229705% change) linmin: converged after 4 iterations. iteration 8: trace = 5.594049548640577 (0.000670714% change) linmin: converged after 3 iterations. iteration 9: trace = 5.594038609820747 (0.000195544% change) linmin: converged after 2 iterations. iteration 10: trace = 5.594035067085783 (6.33306e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.594033390558402 (2.99699e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.594032551741144 (1.49949e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.594031999184887 (9.8776e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.594031699982709 (5.3486e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 5.594031556072584 (2.57257e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.594031485788911 (1.2564e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.594031455144977 (5.47797e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.594031432706867 (4.01108e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 5.594031422730698 (1.78336e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.594031418912026 (6.82633e-08% change) linmin: converged after 15 iterations. iteration 21: trace = 5.59403141767742 (2.20701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.594031417255707 (7.53863e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.594031417032634 (3.9877e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.594031416919611 (2.02041e-09% change) linmin: converged after 7 iterations. iteration 25: trace = 5.594031416877138 (7.5925e-10% change) linmin: converged after 5 iterations. iteration 26: trace = 5.594031416862819 (2.55973e-10% change) linmin: converged after 7 iterations. iteration 27: trace = 5.594031416858383 (7.93069e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.349588, 0.49478, 0.658508, 0.796524, 0.862684, 1.02898, 1.07044, 1.10003 elapsed time for k point: 0.18986296653747559 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.658952488023719 (0.227165% change) linmin: converged after 5 iterations. iteration 2: trace = 5.651172639068033 (0.137573% change) linmin: converged after 5 iterations. iteration 3: trace = 5.64697745294418 (0.0742632% change) linmin: converged after 4 iterations. iteration 4: trace = 5.644684383770696 (0.0406153% change) linmin: converged after 4 iterations. iteration 5: trace = 5.643239756073964 (0.025596% change) linmin: converged after 4 iterations. iteration 6: trace = 5.642724507560135 (0.00913078% change) linmin: converged after 4 iterations. iteration 7: trace = 5.642475213056803 (0.00441808% change) linmin: converged after 4 iterations. iteration 8: trace = 5.642293858955272 (0.00321414% change) linmin: converged after 4 iterations. iteration 9: trace = 5.642022882947465 (0.0048027% change) large trace change predicted (0.0102229%) linmin: converged after 4 iterations. iteration 10: trace = 5.641446879082053 (0.0102097% change) linmin: converged after 5 iterations. iteration 11: trace = 5.640440099441923 (0.0178477% change) linmin: converged after 5 iterations. iteration 12: trace = 5.639322938644529 (0.0198082% change) linmin: converged after 4 iterations. iteration 13: trace = 5.638404375778331 (0.0162899% change) linmin: converged after 4 iterations. iteration 14: trace = 5.637799416718211 (0.0107298% change) linmin: converged after 3 iterations. iteration 15: trace = 5.637559421782496 (0.00425698% change) linmin: converged after 3 iterations. iteration 16: trace = 5.63747344756972 (0.00152504% change) linmin: converged after 3 iterations. iteration 17: trace = 5.637440210805517 (0.00058957% change) linmin: converged after 3 iterations. iteration 18: trace = 5.637423473771829 (0.000296891% change) linmin: converged after 3 iterations. iteration 19: trace = 5.637418827785591 (8.24133e-05% change) linmin: converged after 4 iterations. iteration 20: trace = 5.637417051137828 (3.15153e-05% change) linmin: converged after 4 iterations. iteration 21: trace = 5.637416175196377 (1.5538e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 5.637415738685664 (7.7431e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.637415488828052 (4.43213e-06% change) linmin: converged after 2 iterations. iteration 24: trace = 5.63741535483237 (2.3769e-06% change) linmin: converged after 15 iterations. iteration 25: trace = 5.637415263728912 (1.61605e-06% change) linmin: converged after 35 iterations. iteration 26: trace = 5.637415208122748 (9.86377e-07% change) linmin: converged after 24 iterations. iteration 27: trace = 5.637415147804388 (1.06996e-06% change) large trace change predicted (2.89728e-06%) linmin: converged after 5 iterations. iteration 28: trace = 5.637414984466684 (2.89739e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 5.637414701464717 (5.02007e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.637414479206141 (3.94256e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.637414382457989 (1.71618e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.637414352167232 (5.37316e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 5.637414342883594 (1.64679e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 5.637414340072162 (4.98709e-08% change) linmin: converged after 5 iterations. iteration 35: trace = 5.637414339312542 (1.34746e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 5.63741433891448 (7.06107e-09% change) linmin: converged after 3 iterations. iteration 37: trace = 5.637414338639296 (4.88139e-09% change) linmin: converged after 3 iterations. iteration 38: trace = 5.63741433845614 (3.24893e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 5.637414338381272 (1.32806e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 5.637414338346884 (6.09989e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 5.637414338317711 (5.17491e-10% change) linmin: converged after 8 iterations. iteration 42: trace = 5.637414338273104 (7.91267e-10% change) linmin: converged after 15 iterations. iteration 43: trace = 5.63741433821137 (1.09509e-09% change) linmin: converged after 20 iterations. iteration 44: trace = 5.637414338111031 (1.77987e-09% change) linmin: converged after 5 iterations. iteration 45: trace = 5.63741433801738 (1.66125e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 5.637414337962035 (9.81746e-10% change) linmin: converged after 8 iterations. iteration 47: trace = 5.637414337944453 (3.11872e-10% change) linmin: converged after 13 iterations. iteration 48: trace = 5.637414337940057 (7.79876e-11% change) Finished solving for bands 1 to 8 after 48 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.413346, 0.444623, 0.648672, 0.798265, 0.859327, 1.03311, 1.0958, 1.09742 elapsed time for k point: 0.27023887634277344 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.58845996120054 (1.62524% change) linmin: converged after 5 iterations. iteration 2: trace = 5.538961403002229 (0.889668% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527070270349131 (0.214912% change) linmin: converged after 3 iterations. iteration 4: trace = 5.522342887661988 (0.085568% change) linmin: converged after 3 iterations. iteration 5: trace = 5.520392483599115 (0.0353247% change) linmin: converged after 4 iterations. iteration 6: trace = 5.519566528529973 (0.014963% change) linmin: converged after 4 iterations. iteration 7: trace = 5.519192001279461 (0.00678568% change) linmin: converged after 4 iterations. iteration 8: trace = 5.519052775913094 (0.0025226% change) linmin: converged after 4 iterations. iteration 9: trace = 5.518995901845807 (0.00103051% change) linmin: converged after 4 iterations. iteration 10: trace = 5.518965434921136 (0.000552039% change) linmin: converged after 3 iterations. iteration 11: trace = 5.518951031752566 (0.000260976% change) linmin: converged after 5 iterations. iteration 12: trace = 5.518944394189483 (0.000120269% change) linmin: converged after 5 iterations. iteration 13: trace = 5.518942193535247 (3.98746e-05% change) linmin: converged after 15 iterations. iteration 14: trace = 5.518941629485422 (1.02203e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.51894144352032 (3.36958e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.518941398225257 (8.2072e-07% change) linmin: converged after 3 iterations. iteration 17: trace = 5.518941383071711 (2.74573e-07% change) linmin: converged after 12 iterations. iteration 18: trace = 5.518941376509176 (1.18909e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.518941374239362 (4.11277e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.518941372978494 (2.28462e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.518941372520785 (8.29343e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.518941372298925 (4.01997e-09% change) linmin: converged after 3 iterations. iteration 23: trace = 5.51894137216323 (2.45871e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.518941372061886 (1.83629e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 5.518941371930683 (2.37731e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 5.518941371759545 (3.10093e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 5.518941371614912 (2.62066e-09% change) linmin: converged after 3 iterations. iteration 28: trace = 5.518941371516163 (1.78927e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 5.518941371440128 (1.37771e-09% change) linmin: converged after 7 iterations. iteration 30: trace = 5.518941371369826 (1.27383e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 5.51894137133035 (7.15282e-10% change) linmin: converged after 5 iterations. iteration 32: trace = 5.518941371316815 (2.45262e-10% change) linmin: converged after 18 iterations. iteration 33: trace = 5.518941371312549 (7.7296e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.424298, 0.448983, 0.644549, 0.802551, 0.854853, 0.98984, 1.05831, 1.11679 elapsed time for k point: 0.14114975929260254 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.358965069231854 (0.494938% change) linmin: converged after 5 iterations. iteration 2: trace = 5.347410133100355 (0.215852% change) linmin: converged after 4 iterations. iteration 3: trace = 5.344694532958302 (0.0507964% change) linmin: converged after 4 iterations. iteration 4: trace = 5.343549261595155 (0.0214305% change) linmin: converged after 5 iterations. iteration 5: trace = 5.342917059986708 (0.0118318% change) linmin: converged after 4 iterations. iteration 6: trace = 5.342682889492325 (0.00438292% change) linmin: converged after 4 iterations. iteration 7: trace = 5.34257673377283 (0.00198696% change) linmin: converged after 4 iterations. iteration 8: trace = 5.34254020353794 (0.000683759% change) linmin: converged after 4 iterations. iteration 9: trace = 5.342529450593277 (0.00020127% change) linmin: converged after 5 iterations. iteration 10: trace = 5.342525583052339 (7.23916e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.342524762095747 (1.53665e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.342524528418492 (4.37391e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.34252447592385 (9.82581e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.342524468019509 (1.47951e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.342524466444304 (2.94843e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.342524466019545 (7.95053e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.342524465855403 (3.07236e-09% change) linmin: converged after 18 iterations. iteration 18: trace = 5.342524465750503 (1.96349e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.342524465692871 (1.07874e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.342524465655599 (6.97639e-10% change) linmin: converged after 13 iterations. iteration 21: trace = 5.342524465621588 (6.36609e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 5.342524465595665 (4.85225e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.342524465572257 (4.38144e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.342524465547465 (4.64062e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.342524465528069 (3.6305e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.342524465517736 (1.93412e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.342524465514544 (5.97325e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.455354, 0.461161, 0.63323, 0.814782, 0.834251, 0.934558, 1.01274, 1.12367 elapsed time for k point: 0.10323762893676758 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.205843851365977 (0.260823% change) linmin: converged after 3 iterations. iteration 2: trace = 5.201250999979981 (0.0882639% change) linmin: converged after 4 iterations. iteration 3: trace = 5.200149842129167 (0.0211733% change) linmin: converged after 4 iterations. iteration 4: trace = 5.199802675803611 (0.00667631% change) linmin: converged after 4 iterations. iteration 5: trace = 5.199636452166119 (0.00319678% change) linmin: converged after 11 iterations. iteration 6: trace = 5.199588777496309 (0.000916889% change) linmin: converged after 3 iterations. iteration 7: trace = 5.199568860655153 (0.000383047% change) linmin: converged after 4 iterations. iteration 8: trace = 5.199559960602095 (0.000171169% change) linmin: converged after 4 iterations. iteration 9: trace = 5.199557315513331 (5.08714e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 5.199556443338575 (1.6774e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.199556282069325 (3.1016e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.199556247771246 (6.59635e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.199556240158948 (1.46403e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.199556238716337 (2.77449e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.199556238427382 (5.55729e-09% change) linmin: converged after 7 iterations. iteration 16: trace = 5.199556238339889 (1.6827e-09% change) linmin: converged after 5 iterations. iteration 17: trace = 5.199556238303392 (7.01926e-10% change) linmin: converged after 6 iterations. iteration 18: trace = 5.199556238269373 (6.54268e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.199556238207714 (1.18585e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.199556238136205 (1.37529e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.19955623808818 (9.23648e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.199556238072939 (2.93124e-10% change) linmin: converged after 6 iterations. iteration 23: trace = 5.199556238067979 (9.53848e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.478427, 0.501912, 0.61745, 0.784489, 0.83371, 0.906541, 0.967734, 1.12636 elapsed time for k point: 0.0803380012512207 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.113888636560835 (0.193819% change) linmin: converged after 3 iterations. iteration 2: trace = 5.111058653692732 (0.0553545% change) linmin: converged after 4 iterations. iteration 3: trace = 5.110360041817678 (0.0136696% change) linmin: converged after 4 iterations. iteration 4: trace = 5.110178387935674 (0.00355468% change) linmin: converged after 3 iterations. iteration 5: trace = 5.110110328941208 (0.00133184% change) linmin: converged after 3 iterations. iteration 6: trace = 5.110094373675731 (0.00031223% change) linmin: converged after 3 iterations. iteration 7: trace = 5.110090048386217 (8.46421e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 5.110087943959183 (4.11818e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.110087209667761 (1.43694e-05% change) linmin: converged after 22 iterations. iteration 10: trace = 5.110086882135968 (6.40951e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.110086801162778 (1.58458e-06% change) linmin: converged after 12 iterations. iteration 12: trace = 5.110086778559403 (4.42329e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.110086772372885 (1.21065e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.110086770914102 (2.85471e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.110086770602329 (6.10113e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 5.110086770517023 (1.66936e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.110086770480933 (7.06255e-10% change) linmin: converged after 5 iterations. iteration 18: trace = 5.1100867704383 (8.343e-10% change) large trace change predicted (2.1347e-09%) linmin: converged after 4 iterations. iteration 19: trace = 5.110086770329221 (2.13458e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.110086770238314 (1.77897e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.110086770200718 (7.35716e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 5.110086770192777 (1.55403e-10% change) linmin: converged after 16 iterations. iteration 23: trace = 5.110086770190959 (3.55787e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.495605, 0.556867, 0.601739, 0.720584, 0.858432, 0.897772, 0.926611, 1.12762 elapsed time for k point: 0.07905364036560059 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.08296873445709 (0.170848% change) linmin: converged after 4 iterations. iteration 2: trace = 5.080632009848869 (0.0459822% change) linmin: converged after 4 iterations. iteration 3: trace = 5.080034162833817 (0.0117679% change) linmin: converged after 4 iterations. iteration 4: trace = 5.079889067208426 (0.00285623% change) linmin: converged after 4 iterations. iteration 5: trace = 5.079840786284366 (0.000950437% change) linmin: converged after 4 iterations. iteration 6: trace = 5.079830362273212 (0.000205204% change) linmin: converged after 2 iterations. iteration 7: trace = 5.079828547056509 (3.57338e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.079827969475189 (1.13701e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 5.079827856733455 (2.2194e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 5.079827805883459 (1.00102e-06% change) linmin: converged after 6 iterations. iteration 11: trace = 5.079827785437719 (4.02489e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 5.0798277757082 (1.91532e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.079827771842986 (7.60895e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 5.079827770756292 (2.13923e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.07982777053307 (4.39427e-09% change) linmin: converged after 3 iterations. iteration 16: trace = 5.07982777046622 (1.31598e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.079827770421266 (8.84956e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 5.079827770346474 (1.47235e-09% change) large trace change predicted (3.34423e-09%) linmin: converged after 2 iterations. iteration 19: trace = 5.079827770176589 (3.3443e-09% change) linmin: converged after 2 iterations. iteration 20: trace = 5.079827770098357 (1.54006e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.079827770077138 (4.17703e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.079827770073004 (8.13725e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.503606, 0.594344, 0.594357, 0.679389, 0.883665, 0.895782, 0.895787, 1.12801 elapsed time for k point: 0.07484149932861328 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.146430386813067 (0.331875% change) linmin: converged after 4 iterations. iteration 2: trace = 5.14163854363848 (0.0931534% change) linmin: converged after 4 iterations. iteration 3: trace = 5.14033682432069 (0.0253204% change) linmin: converged after 4 iterations. iteration 4: trace = 5.139958644400264 (0.00735737% change) linmin: converged after 4 iterations. iteration 5: trace = 5.139823079442868 (0.00263751% change) linmin: converged after 5 iterations. iteration 6: trace = 5.139792533516841 (0.000594301% change) linmin: converged after 4 iterations. iteration 7: trace = 5.139787176704381 (0.000104222% change) linmin: converged after 4 iterations. iteration 8: trace = 5.139785473947313 (3.31289e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.139785114467225 (6.99407e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.139784968056226 (2.84858e-06% change) linmin: converged after 5 iterations. iteration 11: trace = 5.139784924164505 (8.5396e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.139784914516126 (1.8772e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.139784912150693 (4.6022e-08% change) linmin: converged after 23 iterations. iteration 14: trace = 5.139784911632526 (1.00815e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.139784911523805 (2.11528e-09% change) linmin: converged after 10 iterations. iteration 16: trace = 5.139784911497796 (5.06041e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 5.139784911491649 (1.19598e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.139784911490271 (2.6802e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.474671, 0.549917, 0.608032, 0.745035, 0.848355, 0.895854, 0.945891, 1.12708 elapsed time for k point: 0.06176328659057617 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.321113856603153 (0.391941% change) linmin: converged after 5 iterations. iteration 2: trace = 5.31273543459494 (0.15758% change) linmin: converged after 4 iterations. iteration 3: trace = 5.309860483627236 (0.054129% change) linmin: converged after 4 iterations. iteration 4: trace = 5.30865460253759 (0.0227128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.30811010417094 (0.0102573% change) linmin: converged after 4 iterations. iteration 6: trace = 5.307980354200669 (0.0024444% change) linmin: converged after 4 iterations. iteration 7: trace = 5.30794615774418 (0.000644248% change) linmin: converged after 4 iterations. iteration 8: trace = 5.307931944059662 (0.000267782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.30792741003905 (8.54198e-05% change) linmin: converged after 7 iterations. iteration 10: trace = 5.30792522016629 (4.12567e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.30792450832233 (1.3411e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.307924276765975 (4.36247e-06% change) linmin: converged after 11 iterations. iteration 13: trace = 5.307924196866908 (1.50528e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.307924180430647 (3.09655e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.307924176022226 (8.30536e-08% change) linmin: converged after 13 iterations. iteration 16: trace = 5.307924174763156 (2.37206e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.307924174428118 (6.31203e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.307924174351104 (1.45092e-09% change) linmin: converged after 3 iterations. iteration 19: trace = 5.307924174333357 (3.3436e-10% change) linmin: converged after 6 iterations. iteration 20: trace = 5.3079241743296 (7.07641e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.373254, 0.543225, 0.646251, 0.817389, 0.830457, 0.896516, 1.0176, 1.12198 elapsed time for k point: 0.06938958168029785 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.565278284532583 (0.649197% change) linmin: converged after 5 iterations. iteration 2: trace = 5.539308670153495 (0.467728% change) linmin: converged after 4 iterations. iteration 3: trace = 5.527740928004517 (0.209048% change) linmin: converged after 4 iterations. iteration 4: trace = 5.52119231461106 (0.118538% change) linmin: converged after 4 iterations. iteration 5: trace = 5.517705504983867 (0.0631731% change) linmin: converged after 4 iterations. iteration 6: trace = 5.516689861468588 (0.0184087% change) linmin: converged after 4 iterations. iteration 7: trace = 5.516225756129595 (0.0084131% change) linmin: converged after 3 iterations. iteration 8: trace = 5.515968278409327 (0.00466775% change) linmin: converged after 4 iterations. iteration 9: trace = 5.515821918920194 (0.00265341% change) linmin: converged after 7 iterations. iteration 10: trace = 5.515731715125206 (0.00163538% change) linmin: converged after 3 iterations. iteration 11: trace = 5.515703319343586 (0.000514816% change) linmin: converged after 3 iterations. iteration 12: trace = 5.515694777907218 (0.000154857% change) linmin: converged after 4 iterations. iteration 13: trace = 5.51569198306254 (5.06708e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.515691259672617 (1.31151e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.515690942868781 (5.74368e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 5.51569084558965 (1.76368e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.515690808935376 (6.64545e-07% change) linmin: converged after 29 iterations. iteration 18: trace = 5.51569079095453 (3.25994e-07% change) linmin: converged after 3 iterations. iteration 19: trace = 5.51569078272834 (1.49142e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 5.515690779523196 (5.81096e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.515690778440378 (1.96316e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.515690778101877 (6.13705e-09% change) linmin: converged after 20 iterations. iteration 23: trace = 5.515690777997043 (1.90066e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.51569077796538 (5.74047e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 5.515690777958354 (1.27389e-10% change) linmin: converged after 7 iterations. iteration 26: trace = 5.515690777956149 (3.99832e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252369, 0.551073, 0.700804, 0.797552, 0.899586, 0.90339, 1.08791, 1.10099 elapsed time for k point: 0.08883213996887207 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.699370390343353 (1.24468% change) linmin: converged after 5 iterations. iteration 2: trace = 5.647627271005885 (0.912014% change) linmin: converged after 9 iterations. iteration 3: trace = 5.63252208373286 (0.267819% change) linmin: converged after 4 iterations. iteration 4: trace = 5.62552951882026 (0.124223% change) linmin: converged after 4 iterations. iteration 5: trace = 5.622573009119122 (0.052569% change) linmin: converged after 3 iterations. iteration 6: trace = 5.621751214744261 (0.0146171% change) linmin: converged after 3 iterations. iteration 7: trace = 5.621415490821263 (0.00597205% change) linmin: converged after 9 iterations. iteration 8: trace = 5.621208187043257 (0.00368782% change) linmin: converged after 4 iterations. iteration 9: trace = 5.621026602496656 (0.0032304% change) linmin: converged after 4 iterations. iteration 10: trace = 5.620814125083641 (0.00378012% change) linmin: converged after 3 iterations. iteration 11: trace = 5.620629887436438 (0.00327783% change) linmin: converged after 7 iterations. iteration 12: trace = 5.620459427784636 (0.0030328% change) linmin: converged after 3 iterations. iteration 13: trace = 5.620367874577292 (0.00162894% change) linmin: converged after 3 iterations. iteration 14: trace = 5.620331402042908 (0.000648937% change) linmin: converged after 3 iterations. iteration 15: trace = 5.620316079252684 (0.000272632% change) linmin: converged after 4 iterations. iteration 16: trace = 5.62031103997582 (8.96618e-05% change) linmin: converged after 2 iterations. iteration 17: trace = 5.620309265165606 (3.15785e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 5.620308520932279 (1.32419e-05% change) linmin: converged after 7 iterations. iteration 19: trace = 5.620308198035805 (5.74517e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 5.620308061374724 (2.43156e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 5.620308008166845 (9.46708e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 5.620307991491019 (2.96707e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 5.620307984134831 (1.30886e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.620307981734177 (4.27139e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 5.620307979992978 (3.09805e-08% change) linmin: converged after 8 iterations. iteration 26: trace = 5.620307977675802 (4.12286e-08% change) linmin: converged after 6 iterations. iteration 27: trace = 5.62030797474326 (5.21776e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 5.620307972553187 (3.89671e-08% change) linmin: converged after 4 iterations. iteration 29: trace = 5.620307971583566 (1.72521e-08% change) linmin: converged after 4 iterations. iteration 30: trace = 5.620307971162819 (7.48619e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 5.6203079709569 (3.66384e-09% change) linmin: converged after 9 iterations. iteration 32: trace = 5.620307970850902 (1.88598e-09% change) linmin: converged after 10 iterations. iteration 33: trace = 5.620307970806838 (7.84019e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 5.620307970792952 (2.47064e-10% change) linmin: converged after 4 iterations. iteration 35: trace = 5.620307970788173 (8.50361e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.12694, 0.558854, 0.755651, 0.785047, 0.909884, 0.968813, 1.04814, 1.11332 elapsed time for k point: 0.11904501914978027 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.721397683446691 (0.88116% change) linmin: converged after 5 iterations. iteration 2: trace = 5.690132175108849 (0.547963% change) linmin: converged after 5 iterations. iteration 3: trace = 5.679949561600693 (0.179112% change) linmin: converged after 5 iterations. iteration 4: trace = 5.674005700180744 (0.104701% change) linmin: converged after 5 iterations. iteration 5: trace = 5.670491569909078 (0.061953% change) linmin: converged after 4 iterations. iteration 6: trace = 5.668987199256972 (0.0265333% change) linmin: converged after 4 iterations. iteration 7: trace = 5.668194726503535 (0.0139801% change) linmin: converged after 4 iterations. iteration 8: trace = 5.667868425634297 (0.00575686% change) linmin: converged after 4 iterations. iteration 9: trace = 5.667594186191996 (0.00483861% change) linmin: converged after 5 iterations. iteration 10: trace = 5.667311953686994 (0.00497988% change) large trace change predicted (0.0130659%) linmin: converged after 4 iterations. iteration 11: trace = 5.666577477888356 (0.0129607% change) large trace change predicted (0.253568%) linmin: converged after 10 iterations. iteration 12: trace = 5.662184718098482 (0.0775506% change) linmin: converged after 5 iterations. iteration 13: trace = 5.659157953576945 (0.0534701% change) linmin: converged after 5 iterations. iteration 14: trace = 5.656543771166633 (0.0462045% change) linmin: converged after 5 iterations. iteration 15: trace = 5.653314443339882 (0.0571064% change) linmin: converged after 6 iterations. iteration 16: trace = 5.648626313306814 (0.0829615% change) linmin: converged after 5 iterations. iteration 17: trace = 5.643821363234167 (0.0851002% change) linmin: converged after 6 iterations. iteration 18: trace = 5.638869397509292 (0.0877799% change) linmin: converged after 6 iterations. iteration 19: trace = 5.635889317433015 (0.0528629% change) linmin: converged after 7 iterations. iteration 20: trace = 5.63393489491962 (0.0346842% change) linmin: converged after 4 iterations. iteration 21: trace = 5.632971468037331 (0.0171019% change) linmin: converged after 4 iterations. iteration 22: trace = 5.632161076469179 (0.0143876% change) linmin: converged after 4 iterations. iteration 23: trace = 5.63151624016928 (0.0114498% change) linmin: converged after 4 iterations. iteration 24: trace = 5.630961940296936 (0.0098433% change) linmin: converged after 4 iterations. iteration 25: trace = 5.630499098024456 (0.00821993% change) linmin: converged after 4 iterations. iteration 26: trace = 5.630122619588494 (0.00668664% change) linmin: converged after 3 iterations. iteration 27: trace = 5.629867621832449 (0.00452927% change) linmin: converged after 3 iterations. iteration 28: trace = 5.629720051203279 (0.00262124% change) linmin: converged after 3 iterations. iteration 29: trace = 5.62960577704948 (0.00202986% change) linmin: converged after 3 iterations. iteration 30: trace = 5.629504361168565 (0.00180149% change) linmin: converged after 3 iterations. iteration 31: trace = 5.629394147451477 (0.00195781% change) linmin: converged after 4 iterations. iteration 32: trace = 5.629290226392969 (0.00184606% change) linmin: converged after 4 iterations. iteration 33: trace = 5.629198024981242 (0.0016379% change) linmin: converged after 3 iterations. iteration 34: trace = 5.629133733956371 (0.00114211% change) linmin: converged after 3 iterations. iteration 35: trace = 5.629086222964411 (0.000844023% change) linmin: converged after 3 iterations. iteration 36: trace = 5.629045867564224 (0.000716911% change) linmin: converged after 3 iterations. iteration 37: trace = 5.629010408054762 (0.00062994% change) linmin: converged after 3 iterations. iteration 38: trace = 5.628979004567635 (0.000557888% change) linmin: converged after 3 iterations. iteration 39: trace = 5.628952468539465 (0.000471419% change) linmin: converged after 3 iterations. iteration 40: trace = 5.62893221276024 (0.000359851% change) linmin: converged after 3 iterations. iteration 41: trace = 5.628917703760266 (0.000257758% change) linmin: converged after 4 iterations. iteration 42: trace = 5.628904770131388 (0.000229771% change) linmin: converged after 4 iterations. iteration 43: trace = 5.628894295237322 (0.000186091% change) linmin: converged after 4 iterations. iteration 44: trace = 5.628885548975525 (0.000155382% change) linmin: converged after 4 iterations. iteration 45: trace = 5.628880125203513 (9.63561e-05% change) linmin: converged after 5 iterations. iteration 46: trace = 5.628876480395514 (6.47519e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 5.62887385527329 (4.66367e-05% change) linmin: converged after 4 iterations. iteration 48: trace = 5.628871914587953 (3.44773e-05% change) linmin: converged after 4 iterations. iteration 49: trace = 5.628870173455476 (3.09322e-05% change) linmin: converged after 5 iterations. iteration 50: trace = 5.628868872042864 (2.31203e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 5.628867792579468 (1.91773e-05% change) linmin: converged after 4 iterations. iteration 52: trace = 5.628867067350733 (1.28841e-05% change) linmin: converged after 4 iterations. iteration 53: trace = 5.628866472394931 (1.05697e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 5.62886603893755 (7.70062e-06% change) linmin: converged after 2 iterations. iteration 55: trace = 5.62886573363008 (5.42396e-06% change) linmin: converged after 2 iterations. iteration 56: trace = 5.628865472838771 (4.63311e-06% change) linmin: converged after 3 iterations. iteration 57: trace = 5.628865257055425 (3.83351e-06% change) linmin: converged after 2 iterations. iteration 58: trace = 5.628865067351745 (3.37019e-06% change) linmin: converged after 3 iterations. iteration 59: trace = 5.628864923865831 (2.54911e-06% change) linmin: converged after 7 iterations. iteration 60: trace = 5.628864787389207 (2.42459e-06% change) linmin: converged after 4 iterations. iteration 61: trace = 5.628864676742341 (1.9657e-06% change) linmin: converged after 2 iterations. iteration 62: trace = 5.628864577628915 (1.76081e-06% change) linmin: converged after 2 iterations. iteration 63: trace = 5.628864491681037 (1.52691e-06% change) linmin: converged after 3 iterations. iteration 64: trace = 5.62886442356569 (1.21011e-06% change) linmin: converged after 2 iterations. iteration 65: trace = 5.628864369045474 (9.68583e-07% change) linmin: converged after 6 iterations. iteration 66: trace = 5.628864328357649 (7.22843e-07% change) linmin: converged after 4 iterations. iteration 67: trace = 5.628864294910065 (5.94215e-07% change) linmin: converged after 2 iterations. iteration 68: trace = 5.628864268960117 (4.61016e-07% change) linmin: converged after 4 iterations. iteration 69: trace = 5.628864245245671 (4.21301e-07% change) resetting CG direction... linmin: converged after 3 iterations. iteration 70: trace = 5.628864210818001 (6.11627e-07% change) linmin: converged after 2 iterations. iteration 71: trace = 5.628864185805083 (4.44369e-07% change) linmin: converged after 3 iterations. iteration 72: trace = 5.62886417649749 (1.65355e-07% change) linmin: converged after 3 iterations. iteration 73: trace = 5.62886417232996 (7.40386e-08% change) linmin: converged after 2 iterations. iteration 74: trace = 5.628864170611668 (3.05264e-08% change) linmin: converged after 3 iterations. iteration 75: trace = 5.628864170125662 (8.63417e-09% change) linmin: converged after 2 iterations. iteration 76: trace = 5.628864169899495 (4.01798e-09% change) linmin: converged after 2 iterations. iteration 77: trace = 5.628864169746248 (2.72252e-09% change) linmin: converged after 5 iterations. iteration 78: trace = 5.628864169565651 (3.20841e-09% change) linmin: converged after 4 iterations. iteration 79: trace = 5.628864169372569 (3.43023e-09% change) linmin: converged after 4 iterations. iteration 80: trace = 5.628864169215252 (2.79482e-09% change) linmin: converged after 8 iterations. iteration 81: trace = 5.628864169115525 (1.7717e-09% change) linmin: converged after 3 iterations. iteration 82: trace = 5.628864169056971 (1.04025e-09% change) linmin: converged after 11 iterations. iteration 83: trace = 5.628864169025799 (5.53796e-10% change) linmin: converged after 3 iterations. iteration 84: trace = 5.628864169015145 (1.89269e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 5.628864169011917 (5.73409e-11% change) Finished solving for bands 2 to 8 after 85 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561945, 0.780843, 0.780846, 0.924372, 1.00804, 1.00804, 1.09859 elapsed time for k point: 0.23815655708312988 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.5036058015219018 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.44462291347067495 at Vector3<0.5, 0.0, 0.0> to 0.5943440245519592 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5943566394470327 at Vector3<0.5, 0.5, 0.0> to 0.7808428121911942 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6793887413076379 at Vector3<0.5, 0.5, 0.0> to 0.8173893719542894 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8304573822339184 at Vector3<0.3, 0.3, 0.0> to 0.924371683058559 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8957817684117539 at Vector3<0.5, 0.5, 0.0> to 1.0331104139200458 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8957868745330794 at Vector3<0.5, 0.5, 0.0> to 1.0958021492221035 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.097416809585407 at Vector3<0.5, 0.0, 0.0> to 1.128012764811995 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5943440245519592) to band 3 (0.5943566394470327), 0.0021224679106323554% Gap from band 4 (0.8173893719542894) to band 5 (0.8304573822339184), 1.586071064729172% Gap from band 7 (1.0958021492221035) to band 8 (1.097416809585407), 0.14724114588007364% total elapsed time for run: 2.4724199771881104 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014071464538574219 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 11 iterations. iteration 1: trace = 13.65344660078471 (194.937% change) linmin: converged after 7 iterations. iteration 2: trace = 5.609537790902672 (83.5167% change) linmin: converged after 6 iterations. iteration 3: trace = 4.870968737369703 (14.0941% change) linmin: converged after 6 iterations. iteration 4: trace = 4.592889108403792 (5.87667% change) linmin: converged after 5 iterations. iteration 5: trace = 4.517375695716687 (1.65777% change) linmin: converged after 5 iterations. iteration 6: trace = 4.501941736249235 (0.342242% change) linmin: converged after 5 iterations. iteration 7: trace = 4.497232324294318 (0.104663% change) linmin: converged after 5 iterations. iteration 8: trace = 4.494705098196539 (0.0562109% change) linmin: converged after 5 iterations. iteration 9: trace = 4.493491980362646 (0.0269936% change) linmin: converged after 3 iterations. iteration 10: trace = 4.491945491445946 (0.0344221% change) linmin: converged after 5 iterations. iteration 11: trace = 4.488917948171112 (0.0674221% change) linmin: converged after 5 iterations. iteration 12: trace = 4.485988456176244 (0.0652818% change) linmin: converged after 5 iterations. iteration 13: trace = 4.484190937558812 (0.0400777% change) linmin: converged after 3 iterations. iteration 14: trace = 4.48386913487522 (0.00717664% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483819386025643 (0.00110951% change) linmin: converged after 5 iterations. iteration 16: trace = 4.483805975020271 (0.000299098% change) linmin: converged after 5 iterations. iteration 17: trace = 4.48380114171588 (0.000107795% change) linmin: converged after 10 iterations. iteration 18: trace = 4.483800147423096 (2.21752e-05% change) linmin: converged after 5 iterations. iteration 19: trace = 4.483799826914352 (7.14815e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 4.483799489839024 (7.51763e-06% change) linmin: converged after 5 iterations. iteration 21: trace = 4.483798967853178 (1.16416e-05% change) linmin: converged after 3 iterations. iteration 22: trace = 4.483798525218377 (9.87187e-06% change) linmin: converged after 8 iterations. iteration 23: trace = 4.483798337445188 (4.18782e-06% change) linmin: converged after 7 iterations. iteration 24: trace = 4.483798287890266 (1.1052e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 4.483798277712628 (2.26987e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 4.483798275623183 (4.65999e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 4.483798275083284 (1.20411e-08% change) linmin: converged after 18 iterations. iteration 28: trace = 4.483798274909358 (3.879e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 4.483798274857846 (1.14884e-09% change) linmin: converged after 10 iterations. iteration 30: trace = 4.483798274835885 (4.89788e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.4837982747952 (9.07373e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 4.483798274730355 (1.44621e-09% change) linmin: converged after 6 iterations. iteration 33: trace = 4.483798274703627 (5.96101e-10% change) linmin: converged after 3 iterations. iteration 34: trace = 4.483798274697107 (1.45415e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.48379827469335 (8.37904e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 elapsed time for k point: 0.10258722305297852 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.47117509170385 (1.08128% change) linmin: converged after 4 iterations. iteration 2: trace = 4.432523987969934 (0.868203% change) linmin: converged after 5 iterations. iteration 3: trace = 4.413416315925295 (0.43201% change) linmin: converged after 4 iterations. iteration 4: trace = 4.404296019479978 (0.206863% change) linmin: converged after 5 iterations. iteration 5: trace = 4.401461350048561 (0.0643822% change) linmin: converged after 5 iterations. iteration 6: trace = 4.399788733721918 (0.0380086% change) linmin: converged after 5 iterations. iteration 7: trace = 4.398929457669709 (0.0195318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.398458753658963 (0.010701% change) linmin: converged after 4 iterations. iteration 9: trace = 4.398236171477376 (0.00506059% change) linmin: converged after 4 iterations. iteration 10: trace = 4.398175740996535 (0.00137398% change) linmin: converged after 5 iterations. iteration 11: trace = 4.398161708582171 (0.000319051% change) linmin: converged after 5 iterations. iteration 12: trace = 4.398157649223499 (9.22968e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.398156557280681 (2.48273e-05% change) linmin: converged after 14 iterations. iteration 14: trace = 4.398156022880001 (1.21506e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.39815575235398 (6.1509e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 4.398155622498218 (2.9525e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.398155576367896 (1.04886e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.398155552776307 (5.36397e-07% change) linmin: converged after 26 iterations. iteration 19: trace = 4.398155541734073 (2.51065e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.398155536009729 (1.30153e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.398155534105945 (4.3286e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 4.398155533748286 (8.13204e-09% change) linmin: converged after 5 iterations. iteration 23: trace = 4.398155533692945 (1.25827e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 4.398155533670937 (5.00396e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.398155533656857 (3.20121e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.39815553365001 (1.55698e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.398155533647456 (5.80587e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 2, 0.1, 0, 0, 0.1, 0.0651416, 0.525004, 0.561885, 0.586307, 0.823536, 0.867346, 0.954632, 1.05688 elapsed time for k point: 0.09942841529846191 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.319158064832369 (0.507573% change) linmin: converged after 4 iterations. iteration 2: trace = 4.315195172035457 (0.0917936% change) linmin: converged after 4 iterations. iteration 3: trace = 4.314652488861989 (0.0125769% change) linmin: converged after 4 iterations. iteration 4: trace = 4.314511296930288 (0.00327244% change) linmin: converged after 4 iterations. iteration 5: trace = 4.314475376819518 (0.000832545% change) linmin: converged after 5 iterations. iteration 6: trace = 4.314467154448444 (0.000190577% change) linmin: converged after 2 iterations. iteration 7: trace = 4.314465990301333 (2.69824e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.31446586390868 (2.92951e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.314465856457112 (1.72711e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.31446585576822 (1.5967e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.314465855720847 (1.098e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.314465855716318 (1.04989e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.31446585571558 (1.70864e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 3, 0.2, 0, 0, 0.2, 0.127665, 0.49365, 0.563323, 0.617312, 0.822737, 0.86353, 0.924306, 1.03882 elapsed time for k point: 0.0451359748840332 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.259813230869057 (0.437307% change) linmin: converged after 4 iterations. iteration 2: trace = 4.256808525762702 (0.070561% change) linmin: converged after 4 iterations. iteration 3: trace = 4.256424318461065 (0.00902612% change) linmin: converged after 4 iterations. iteration 4: trace = 4.256370493922877 (0.00126456% change) linmin: converged after 5 iterations. iteration 5: trace = 4.256364774302127 (0.000134378% change) linmin: converged after 2 iterations. iteration 6: trace = 4.256364062218789 (1.67298e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.256363946820415 (2.7112e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.256363898709568 (1.13033e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.256363889801436 (2.0929e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.256363888602306 (2.81727e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.256363888506427 (2.2526e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.256363888498841 (1.78226e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.256363888498332 (1.19568e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 4, 0.3, 0, 0, 0.3, 0.184047, 0.461592, 0.565122, 0.651397, 0.810839, 0.858984, 0.892949, 1.03589 elapsed time for k point: 0.058103322982788086 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.230445167891604 (0.428208% change) linmin: converged after 4 iterations. iteration 2: trace = 4.226884659314516 (0.0841994% change) linmin: converged after 4 iterations. iteration 3: trace = 4.226277772317788 (0.0143588% change) linmin: converged after 8 iterations. iteration 4: trace = 4.226142669225807 (0.00319679% change) linmin: converged after 5 iterations. iteration 5: trace = 4.226108930204354 (0.000798344% change) linmin: converged after 4 iterations. iteration 6: trace = 4.226098815419109 (0.000239341% change) linmin: converged after 4 iterations. iteration 7: trace = 4.226095681906936 (7.41467e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.226095353849791 (7.76265e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.226095326529167 (6.46474e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.226095324571847 (4.63151e-08% change) linmin: converged after 6 iterations. iteration 11: trace = 4.226095324437822 (3.17135e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.226095324430023 (1.84546e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.226095324429568 (1.07605e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0.4, 0, 0, 0.4, 0.227778, 0.433361, 0.566596, 0.689045, 0.778792, 0.855425, 0.879398, 1.03874 elapsed time for k point: 0.09499096870422363 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.224590436596976 (0.46166% change) linmin: converged after 5 iterations. iteration 2: trace = 4.219402634957612 (0.122876% change) linmin: converged after 4 iterations. iteration 3: trace = 4.218303323951641 (0.0260571% change) linmin: converged after 10 iterations. iteration 4: trace = 4.217912996839637 (0.00925361% change) linmin: converged after 5 iterations. iteration 5: trace = 4.217806962656632 (0.00251393% change) linmin: converged after 9 iterations. iteration 6: trace = 4.217779234764804 (0.000657403% change) linmin: converged after 4 iterations. iteration 7: trace = 4.217772706280908 (0.000154785% change) linmin: converged after 2 iterations. iteration 8: trace = 4.217772221251987 (1.14996e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.217772182111439 (9.27991e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.217772179564777 (6.03793e-08% change) linmin: converged after 3 iterations. iteration 11: trace = 4.217772179377826 (4.43248e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.217772179362668 (3.59376e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 4.217772179355181 (1.77498e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 4.217772179352377 (6.65012e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 6, 0.5, 0, 0, 0.5, 0.245809, 0.420657, 0.567163, 0.720092, 0.747203, 0.85409, 0.877012, 1.0408 elapsed time for k point: 0.11815071105957031 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.216167442451164 (0.906425% change) linmin: converged after 5 iterations. iteration 2: trace = 4.207075518579895 (0.215877% change) linmin: converged after 4 iterations. iteration 3: trace = 4.205560118729062 (0.0360268% change) linmin: converged after 4 iterations. iteration 4: trace = 4.20543792525936 (0.00290556% change) linmin: converged after 5 iterations. iteration 5: trace = 4.205424978514317 (0.000307858% change) linmin: converged after 29 iterations. iteration 6: trace = 4.205423872193348 (2.6307e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.205423830220985 (9.98053e-07% change) linmin: converged after 4 iterations. iteration 8: trace = 4.205423828175205 (4.86462e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.205423828042199 (3.16274e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.205423828029007 (3.13693e-10% change) linmin: converged after 6 iterations. iteration 11: trace = 4.205423828027399 (3.82269e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.249299, 0.427308, 0.560221, 0.718025, 0.756122, 0.855013, 0.877106, 1.02917 elapsed time for k point: 0.0799560546875 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.188511643576091 (0.767217% change) linmin: converged after 5 iterations. iteration 2: trace = 4.183271740703043 (0.12518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.182635593295243 (0.0152081% change) linmin: converged after 5 iterations. iteration 4: trace = 4.182595255887836 (0.000964406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.182592616911325 (6.30943e-05% change) linmin: converged after 33 iterations. iteration 6: trace = 4.182592321790135 (7.05594e-06% change) linmin: converged after 2 iterations. iteration 7: trace = 4.182592286855638 (8.35236e-07% change) linmin: converged after 19 iterations. iteration 8: trace = 4.182592281925398 (1.17875e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.182592281109054 (1.95177e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.182592281032474 (1.83091e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.182592281023937 (2.04112e-10% change) linmin: converged after 3 iterations. iteration 12: trace = 4.182592281022643 (3.09396e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.258693, 0.445541, 0.543385, 0.711698, 0.77935, 0.858136, 0.877357, 1.00092 elapsed time for k point: 0.08723616600036621 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.172248021921067 (0.635399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168646425845074 (0.0863599% change) linmin: converged after 4 iterations. iteration 3: trace = 4.16797869350233 (0.0160192% change) linmin: converged after 4 iterations. iteration 4: trace = 4.167833298187497 (0.00348845% change) linmin: converged after 4 iterations. iteration 5: trace = 4.167813086647444 (0.000484942% change) linmin: converged after 5 iterations. iteration 6: trace = 4.167811349625674 (4.16771e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.167811247608131 (2.44775e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.167811240546714 (1.69427e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.167811239437253 (2.66198e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.167811239290017 (3.53269e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.167811239280089 (2.38187e-10% change) linmin: converged after 8 iterations. iteration 12: trace = 4.167811239279438 (1.56419e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.270963, 0.470322, 0.524053, 0.701396, 0.810963, 0.864394, 0.877683, 0.965108 elapsed time for k point: 0.08728337287902832 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.175020794659225 (0.559983% change) linmin: converged after 5 iterations. iteration 2: trace = 4.171453968416325 (0.085469% change) linmin: converged after 5 iterations. iteration 3: trace = 4.169838633398401 (0.038731% change) linmin: converged after 5 iterations. iteration 4: trace = 4.169126573577484 (0.0170779% change) linmin: converged after 4 iterations. iteration 5: trace = 4.169030186733768 (0.00231195% change) linmin: converged after 5 iterations. iteration 6: trace = 4.16902380410991 (0.000153096% change) linmin: converged after 5 iterations. iteration 7: trace = 4.169023362478125 (1.05932e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.169023324272549 (9.16416e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.169023320812347 (8.29979e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.169023319376684 (3.44364e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.169023318807238 (1.3659e-08% change) linmin: converged after 3 iterations. iteration 12: trace = 4.169023318685015 (2.93168e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 4.169023318668819 (3.88483e-10% change) linmin: converged after 4 iterations. iteration 14: trace = 4.169023318668043 (1.86199e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.281614, 0.493207, 0.508823, 0.689961, 0.846785, 0.874595, 0.878068, 0.926581 elapsed time for k point: 0.11043572425842285 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.196748230141918 (0.499327% change) linmin: converged after 5 iterations. iteration 2: trace = 4.191391085979967 (0.127731% change) linmin: converged after 6 iterations. iteration 3: trace = 4.184065231778533 (0.174936% change) linmin: converged after 5 iterations. iteration 4: trace = 4.179418151111563 (0.111128% change) linmin: converged after 4 iterations. iteration 5: trace = 4.178708162121 (0.0169892% change) linmin: converged after 4 iterations. iteration 6: trace = 4.178675276778256 (0.000786977% change) linmin: converged after 5 iterations. iteration 7: trace = 4.178673354488494 (4.60024e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.178673127808471 (5.42469e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.178673067930245 (1.43295e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.178672983680849 (2.01618e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.178672966328831 (4.15252e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.178672965170099 (2.77297e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.178672965096586 (1.75924e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.178672965089365 (1.72803e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 4.178672965088623 (1.77692e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.285906, 0.502981, 0.502983, 0.684476, 0.874359, 0.883317, 0.883317, 0.892993 elapsed time for k point: 0.10547447204589844 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.215590647524031 (1.05654% change) linmin: converged after 10 iterations. iteration 2: trace = 4.183207287460688 (0.771143% change) linmin: converged after 6 iterations. iteration 3: trace = 4.156607860607693 (0.63789% change) linmin: converged after 5 iterations. iteration 4: trace = 4.145125801931357 (0.276618% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141661343321531 (0.083614% change) linmin: converged after 4 iterations. iteration 6: trace = 4.141092875796296 (0.0137265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.141018445194859 (0.00179738% change) linmin: converged after 5 iterations. iteration 8: trace = 4.141013513514405 (0.000119093% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141012954787888 (1.34925e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.141012717733229 (5.72456e-06% change) linmin: converged after 11 iterations. iteration 11: trace = 4.141012607970374 (2.65063e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 4.141012579996667 (6.75528e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 4.141012578178469 (4.39071e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.141012578052824 (3.03415e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.141012578041202 (2.80652e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.141012578036988 (1.01772e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.14101257803556 (3.44889e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.276089, 0.491352, 0.508683, 0.69258, 0.839723, 0.856431, 0.907219, 0.907347 elapsed time for k point: 0.1203920841217041 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.147564043481693 (0.875199% change) linmin: converged after 5 iterations. iteration 2: trace = 4.142071403504552 (0.132518% change) linmin: converged after 4 iterations. iteration 3: trace = 4.141407784545613 (0.0160227% change) linmin: converged after 14 iterations. iteration 4: trace = 4.141348425305269 (0.00143332% change) linmin: converged after 5 iterations. iteration 5: trace = 4.141332888571218 (0.000375162% change) linmin: converged after 5 iterations. iteration 6: trace = 4.141330631750844 (5.4495e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.141330428051608 (4.91869e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.141330407855833 (4.87664e-07% change) linmin: converged after 4 iterations. iteration 9: trace = 4.141330405897514 (4.72872e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.141330405721697 (4.24542e-09% change) linmin: converged after 4 iterations. iteration 11: trace = 4.141330405701249 (4.93767e-10% change) linmin: converged after 7 iterations. iteration 12: trace = 4.14133040570003 (2.94249e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.240239, 0.47923, 0.523499, 0.685362, 0.829266, 0.840451, 0.910791, 0.941595 elapsed time for k point: 0.08751702308654785 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.219183998789268 (0.838948% change) linmin: converged after 5 iterations. iteration 2: trace = 4.214112239631161 (0.120279% change) linmin: converged after 4 iterations. iteration 3: trace = 4.213587255840629 (0.0124585% change) linmin: converged after 4 iterations. iteration 4: trace = 4.213533983072801 (0.00126432% change) linmin: converged after 5 iterations. iteration 5: trace = 4.213522375060026 (0.000275494% change) linmin: converged after 2 iterations. iteration 6: trace = 4.213521453044298 (2.18823e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.21352138376677 (1.64417e-06% change) linmin: converged after 29 iterations. iteration 8: trace = 4.213521376642288 (1.69086e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.213521376039916 (1.42962e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.213521375952428 (2.07635e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.213521375942169 (2.43486e-10% change) linmin: converged after 6 iterations. iteration 12: trace = 4.213521375941404 (1.81492e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.17524, 0.488533, 0.541561, 0.64751, 0.83002, 0.850443, 0.922657, 0.983925 elapsed time for k point: 0.08733606338500977 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.354935285252275 (0.903179% change) linmin: converged after 5 iterations. iteration 2: trace = 4.347005534771354 (0.182252% change) linmin: converged after 4 iterations. iteration 3: trace = 4.345758802079407 (0.0286844% change) linmin: converged after 4 iterations. iteration 4: trace = 4.345492824185595 (0.00612059% change) linmin: converged after 4 iterations. iteration 5: trace = 4.345439182323275 (0.00123443% change) linmin: converged after 5 iterations. iteration 6: trace = 4.345428859007479 (0.000237567% change) linmin: converged after 6 iterations. iteration 7: trace = 4.345426500208693 (5.42823e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.345426131439357 (8.48638e-06% change) linmin: converged after 17 iterations. iteration 9: trace = 4.345426090356747 (9.45422e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.345426086357088 (9.2043e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.34542608605445 (6.96454e-09% change) linmin: converged after 5 iterations. iteration 12: trace = 4.345426086022092 (7.44627e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 4.345426086018986 (7.1497e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.0915259, 0.516393, 0.555924, 0.601211, 0.824561, 0.86529, 0.948412, 1.03526 elapsed time for k point: 0.09492874145507812 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.518149969222198 (1.13355% change) linmin: converged after 5 iterations. iteration 2: trace = 4.499734133170298 (0.408429% change) linmin: converged after 5 iterations. iteration 3: trace = 4.495250492449571 (0.099692% change) linmin: converged after 4 iterations. iteration 4: trace = 4.493713193153424 (0.0342041% change) linmin: converged after 4 iterations. iteration 5: trace = 4.492592218712791 (0.0249485% change) large trace change predicted (0.050791%) linmin: converged after 4 iterations. iteration 6: trace = 4.490355890858018 (0.0497905% change) linmin: converged after 5 iterations. iteration 7: trace = 4.487337847436465 (0.0672343% change) linmin: converged after 5 iterations. iteration 8: trace = 4.485431457992108 (0.0424928% change) linmin: converged after 4 iterations. iteration 9: trace = 4.484262744539711 (0.0260592% change) linmin: converged after 3 iterations. iteration 10: trace = 4.483883370910918 (0.00846047% change) linmin: converged after 3 iterations. iteration 11: trace = 4.483810183156654 (0.00163225% change) linmin: converged after 4 iterations. iteration 12: trace = 4.483801839966898 (0.000186074% change) linmin: converged after 3 iterations. iteration 13: trace = 4.483800541625655 (2.89563e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.48380018565615 (7.93901e-06% change) linmin: converged after 4 iterations. iteration 15: trace = 4.483799885096502 (6.70323e-06% change) linmin: converged after 6 iterations. iteration 16: trace = 4.483799578938856 (6.82808e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.483799309165798 (6.01662e-06% change) linmin: converged after 5 iterations. iteration 18: trace = 4.483798916289055 (8.76214e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 4.483798783128174 (2.96982e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.483798762624252 (4.57289e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.483798756127834 (1.44886e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.483798754611385 (3.38206e-08% change) linmin: converged after 15 iterations. iteration 23: trace = 4.483798754481978 (2.88612e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.483798754451529 (6.79079e-10% change) linmin: converged after 11 iterations. iteration 25: trace = 4.483798754422116 (6.55982e-10% change) linmin: converged after 8 iterations. iteration 26: trace = 4.483798754387671 (7.68218e-10% change) linmin: converged after 2 iterations. iteration 27: trace = 4.483798754356928 (6.85636e-10% change) linmin: converged after 4 iterations. iteration 28: trace = 4.483798754303908 (1.1825e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.48379875427857 (5.6508e-10% change) linmin: converged after 2 iterations. iteration 30: trace = 4.483798754271722 (1.52744e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 4.483798754265766 (1.32817e-10% change) large trace change predicted (4.8196e-10%) linmin: converged after 6 iterations. iteration 32: trace = 4.483798754244152 (4.82062e-10% change) large trace change predicted (2.6894e-09%) linmin: converged after 2 iterations. iteration 33: trace = 4.483798754123567 (2.68934e-09% change) large trace change predicted (9.03518e-09%) linmin: converged after 5 iterations. iteration 34: trace = 4.483798753718449 (9.03516e-09% change) large trace change predicted (3.80042e-08%) linmin: converged after 3 iterations. iteration 35: trace = 4.483798752014425 (3.8004e-08% change) large trace change predicted (1.44447e-07%) linmin: converged after 5 iterations. iteration 36: trace = 4.483798745538273 (1.44434e-07% change) large trace change predicted (4.63378e-07%) linmin: converged after 6 iterations. iteration 37: trace = 4.48379872477563 (4.63059e-07% change) linmin: converged after 5 iterations. iteration 38: trace = 4.483798696719777 (6.25716e-07% change) linmin: converged after 14 iterations. iteration 39: trace = 4.483798668072068 (6.38916e-07% change) linmin: converged after 7 iterations. iteration 40: trace = 4.483798643130926 (5.5625e-07% change) linmin: converged after 6 iterations. iteration 41: trace = 4.483798621858712 (4.74424e-07% change) large trace change predicted (1.35926e-06%) linmin: converged after 12 iterations. iteration 42: trace = 4.483798561180511 (1.35328e-06% change) large trace change predicted (5.83318e-06%) linmin: converged after 6 iterations. iteration 43: trace = 4.483798313956219 (5.51372e-06% change) linmin: converged after 7 iterations. iteration 44: trace = 4.483798101265305 (4.74354e-06% change) linmin: converged after 9 iterations. iteration 45: trace = 4.483798058281495 (9.58647e-07% change) linmin: converged after 7 iterations. iteration 46: trace = 4.483798047911615 (2.31274e-07% change) linmin: converged after 10 iterations. iteration 47: trace = 4.483798039715489 (1.82794e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 4.483798036699957 (6.7254e-08% change) linmin: converged after 6 iterations. iteration 49: trace = 4.483798033244328 (7.70692e-08% change) linmin: converged after 11 iterations. iteration 50: trace = 4.483798027631948 (1.2517e-07% change) linmin: converged after 6 iterations. iteration 51: trace = 4.483798025313344 (5.17107e-08% change) linmin: converged after 7 iterations. iteration 52: trace = 4.483798024489732 (1.83686e-08% change) linmin: converged after 13 iterations. iteration 53: trace = 4.483798024240048 (5.56858e-09% change) linmin: converged after 2 iterations. iteration 54: trace = 4.483798024202118 (8.45947e-10% change) linmin: converged after 4 iterations. iteration 55: trace = 4.483798024192735 (2.09258e-10% change) linmin: converged after 18 iterations. iteration 56: trace = 4.483798024185385 (1.63916e-10% change) large trace change predicted (3.44338e-10%) linmin: converged after 7 iterations. iteration 57: trace = 4.483798024169943 (3.44412e-10% change) linmin: converged after 3 iterations. iteration 58: trace = 4.483798024159209 (2.39387e-10% change) linmin: converged after 4 iterations. iteration 59: trace = 4.48379802415644 (6.17633e-11% change) Finished solving for bands 2 to 8 after 59 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.550336, 0.561338, 0.56134, 0.822948, 0.868842, 0.965325, 1.08938 .elapsed time for k point: 0.1979219913482666 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.28590577911965476 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.42065733839975133 at Vector3<0.5, 0.0, 0.0> to 0.5503360754831293 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.5029830978365978 at Vector3<0.5, 0.5, 0.0> to 0.5671632878128112 at Vector3<0.5, 0.0, 0.0> Band 4 range: 0.5613397939889752 at Vector3<0.0, 0.0, 0.0> to 0.7200918204564002 at Vector3<0.5, 0.0, 0.0> Band 5 range: 0.7472029910480837 at Vector3<0.5, 0.0, 0.0> to 0.874359380500508 at Vector3<0.5, 0.5, 0.0> Band 6 range: 0.8404509697526804 at Vector3<0.3, 0.3, 0.0> to 0.8833173725822797 at Vector3<0.5, 0.5, 0.0> Band 7 range: 0.8770118718330774 at Vector3<0.5, 0.0, 0.0> to 0.965325380898161 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.8929933495598094 at Vector3<0.5, 0.5, 0.0> to 1.0893776820093362 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.28590577911965476) to band 2 (0.42065733839975133), 38.14282289547772% Gap from band 4 (0.7200918204564002) to band 5 (0.7472029910480837), 3.695395142014472% total elapsed time for run: 1.579559087753296 done /tmp/meepakjAzV/test_sq_rods-0: 4.06s /tmp/meepakjAzV/test_strip-0 ======================== Initializing eigensolver data Computing 4 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 1 x 64 x 64. Solving for 4 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 2, 0) (0, 0, 2) Cell volume = 4 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 0.5, -0) (0, -0, 0.5) Geometric objects: block, center = (0,0,0.5625) size (1e+20,1e+20,0.875) axes (1,0,0), (0,1,0), (0,0,1) block, center = (0,0,0) size (1e+20,0.3,0.25) axes (1,0,0), (0,1,0), (0,0,1) Geometric object tree has depth 2 and 8 object nodes (vs. 2 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 11 k-points Vector3<0.1, 0.0, 0.0> Vector3<0.39, 0.0, 0.0> Vector3<0.6799999999999999, 0.0, 0.0> Vector3<0.9699999999999999, 0.0, 0.0> Vector3<1.26, 0.0, 0.0> Vector3<1.55, 0.0, 0.0> Vector3<1.8399999999999999, 0.0, 0.0> Vector3<2.13, 0.0, 0.0> Vector3<2.42, 0.0, 0.0> Vector3<2.71, 0.0, 0.0> Vector3<3.0, 0.0, 0.0> elapsed time for initialization: 0.006304502487182617 solve_kpoint (0.1,0,0): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4 Solving for bands 1 to 4... near maximum in trace linmin: converged after 15 iterations. iteration 1: trace = 0.9888324390218044 (199.208% change) linmin: converged after 8 iterations. iteration 2: trace = 0.3275386403031393 (100.472% change) linmin: converged after 6 iterations. iteration 3: trace = 0.2964736897935054 (9.95652% change) linmin: converged after 6 iterations. iteration 4: trace = 0.2766924976907892 (6.90243% change) linmin: converged after 6 iterations. iteration 5: trace = 0.2726168891851928 (1.4839% change) linmin: converged after 5 iterations. iteration 6: trace = 0.2709568969210187 (0.61077% change) linmin: converged after 5 iterations. iteration 7: trace = 0.270421571645273 (0.197764% change) linmin: converged after 5 iterations. iteration 8: trace = 0.2698420362472927 (0.214538% change) linmin: converged after 5 iterations. iteration 9: trace = 0.2692566677135553 (0.217166% change) linmin: converged after 5 iterations. iteration 10: trace = 0.2688723160972978 (0.142847% change) linmin: converged after 5 iterations. iteration 11: trace = 0.2687479778755979 (0.046255% change) linmin: converged after 7 iterations. iteration 12: trace = 0.2687078756607025 (0.014923% change) linmin: converged after 13 iterations. iteration 13: trace = 0.2686863756597033 (0.00800157% change) linmin: converged after 4 iterations. iteration 14: trace = 0.2686684185723042 (0.00668351% change) linmin: converged after 6 iterations. iteration 15: trace = 0.2686570148093189 (0.00424464% change) linmin: converged after 5 iterations. iteration 16: trace = 0.2686528052174897 (0.00156691% change) linmin: converged after 5 iterations. iteration 17: trace = 0.268650950503293 (0.000690378% change) linmin: converged after 5 iterations. iteration 18: trace = 0.2686504308755131 (0.000193421% change) linmin: converged after 5 iterations. iteration 19: trace = 0.2686501381174944 (0.000108974% change) linmin: converged after 5 iterations. iteration 20: trace = 0.2686498488710397 (0.000107667% change) linmin: converged after 4 iterations. iteration 21: trace = 0.2686495704062641 (0.000103653% change) linmin: converged after 6 iterations. iteration 22: trace = 0.2686494341955125 (5.0702e-05% change) linmin: converged after 3 iterations. iteration 23: trace = 0.2686493830083235 (1.90535e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 0.2686493569010618 (9.71797e-06% change) linmin: converged after 4 iterations. iteration 25: trace = 0.2686493401671162 (6.22892e-06% change) linmin: converged after 15 iterations. iteration 26: trace = 0.2686493260250872 (5.26412e-06% change) linmin: converged after 12 iterations. iteration 27: trace = 0.2686493177549078 (3.07843e-06% change) linmin: converged after 9 iterations. iteration 28: trace = 0.2686493141307413 (1.34903e-06% change) linmin: converged after 15 iterations. iteration 29: trace = 0.2686493133317409 (2.97414e-07% change) linmin: converged after 7 iterations. iteration 30: trace = 0.2686493131406225 (7.11405e-08% change) linmin: converged after 9 iterations. iteration 31: trace = 0.2686493130940624 (1.73312e-08% change) linmin: converged after 6 iterations. iteration 32: trace = 0.268649313082798 (4.19299e-09% change) linmin: converged after 5 iterations. iteration 33: trace = 0.2686493130763812 (2.38853e-09% change) linmin: converged after 3 iterations. iteration 34: trace = 0.2686493130708934 (2.04275e-09% change) linmin: converged after 6 iterations. iteration 35: trace = 0.2686493130667944 (1.52578e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 0.2686493130651829 (5.99848e-10% change) linmin: converged after 3 iterations. iteration 37: trace = 0.2686493130645911 (2.20289e-10% change) linmin: converged after 3 iterations. iteration 38: trace = 0.2686493130640042 (2.1847e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 0.2686493130635511 (1.68673e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 0.2686493130631626 (1.44579e-10% change) linmin: converged after 4 iterations. iteration 41: trace = 0.2686493130629992 (6.0832e-11% change) Finished solving for bands 1 to 4 after 41 iterations. freqs:, 1, 0.1, 0, 0, 0.1, 0.0807582, 0.0855765, 0.3147, 0.394675 elapsed time for k point: 0.30199670791625977 zparity:, 1, 0.991845764322559, -0.9993165778921825, 0.9263952713918745, 0.734287985500236 yparity:, 1, -0.9999999941669303, 0.9999999948774843, 0.9999993171367377, -0.999990343487298 solve_kpoint (0.39,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 0.6221572131381576 (6.85988% change) linmin: converged after 4 iterations. iteration 2: trace = 0.6115306387019994 (1.72273% change) linmin: converged after 5 iterations. iteration 3: trace = 0.6092236100640738 (0.377968% change) linmin: converged after 5 iterations. iteration 4: trace = 0.6078935744602465 (0.218555% change) linmin: converged after 5 iterations. iteration 5: trace = 0.6073391521679113 (0.0912455% change) linmin: converged after 4 iterations. iteration 6: trace = 0.6070826550178682 (0.0422419% change) linmin: converged after 4 iterations. iteration 7: trace = 0.6070081174319568 (0.0122788% change) linmin: converged after 4 iterations. iteration 8: trace = 0.6069403390784771 (0.0111666% change) linmin: converged after 4 iterations. iteration 9: trace = 0.6069054512212717 (0.00574832% change) linmin: converged after 4 iterations. iteration 10: trace = 0.6068924091656944 (0.00214897% change) linmin: converged after 4 iterations. iteration 11: trace = 0.6068870095060079 (0.000889727% change) linmin: converged after 4 iterations. iteration 12: trace = 0.6068853033452281 (0.000281134% change) linmin: converged after 4 iterations. iteration 13: trace = 0.6068844690828896 (0.000137466% change) linmin: converged after 4 iterations. iteration 14: trace = 0.6068841755207711 (4.8372e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 0.6068840418585739 (2.20243e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 0.6068839789046552 (1.03733e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 0.6068839547900675 (3.97351e-06% change) linmin: converged after 15 iterations. iteration 18: trace = 0.6068839452457329 (1.57268e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 0.6068839423137347 (4.83123e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 0.6068839407794916 (2.52807e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 0.6068839400027517 (1.27988e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 0.6068839396340783 (6.07486e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 0.6068839395282147 (1.74438e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 0.6068839394969752 (5.14754e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 0.6068839394888997 (1.33064e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 0.6068839394859056 (4.93366e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 0.6068839394838392 (3.40485e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 0.6068839394826193 (2.01013e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 0.6068839394820106 (1.00305e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 0.6068839394817216 (4.76188e-11% change) Finished solving for bands 1 to 4 after 30 iterations. freqs:, 2, 0.39, 0, 0, 0.39, 0.305867, 0.318873, 0.435494, 0.471163 elapsed time for k point: 0.20851922035217285 zparity:, 2, 0.8497976290527355, -0.8562083115829646, 0.613504714456493, 0.7040493643450679 yparity:, 2, -0.9999999782411549, 0.9999997901628059, 1.000005868341607, -0.9999353452610711 solve_kpoint (0.68,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.264470565181613 (5.39004% change) linmin: converged after 6 iterations. iteration 2: trace = 1.235883601229645 (2.28663% change) linmin: converged after 5 iterations. iteration 3: trace = 1.224582577450968 (0.918608% change) linmin: converged after 5 iterations. iteration 4: trace = 1.218161286419984 (0.525744% change) linmin: converged after 5 iterations. iteration 5: trace = 1.214962361809651 (0.262948% change) linmin: converged after 4 iterations. iteration 6: trace = 1.212817357015784 (0.176705% change) linmin: converged after 5 iterations. iteration 7: trace = 1.211094436566093 (0.14216% change) linmin: converged after 5 iterations. iteration 8: trace = 1.209359468510491 (0.143359% change) linmin: converged after 4 iterations. iteration 9: trace = 1.208547294324885 (0.0671799% change) linmin: converged after 4 iterations. iteration 10: trace = 1.208042238043626 (0.0417991% change) linmin: converged after 3 iterations. iteration 11: trace = 1.207823296097657 (0.0181253% change) linmin: converged after 4 iterations. iteration 12: trace = 1.207749466955793 (0.00611276% change) linmin: converged after 4 iterations. iteration 13: trace = 1.207719818833629 (0.00245485% change) linmin: converged after 4 iterations. iteration 14: trace = 1.207710829504941 (0.000744325% change) linmin: converged after 4 iterations. iteration 15: trace = 1.207706751669003 (0.000337651% change) linmin: converged after 6 iterations. iteration 16: trace = 1.207705249394497 (0.000124391% change) linmin: converged after 4 iterations. iteration 17: trace = 1.207704786572437 (3.83224e-05% change) linmin: converged after 15 iterations. iteration 18: trace = 1.207704628833395 (1.30611e-05% change) linmin: converged after 17 iterations. iteration 19: trace = 1.207704566628019 (5.15071e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 1.207704535783024 (2.55402e-06% change) linmin: converged after 9 iterations. iteration 21: trace = 1.207704518965968 (1.39248e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 1.207704506350417 (1.04459e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 1.207704497493669 (7.33354e-07% change) linmin: converged after 2 iterations. iteration 24: trace = 1.20770449198717 (4.55948e-07% change) linmin: converged after 2 iterations. iteration 25: trace = 1.207704488731007 (2.69616e-07% change) linmin: converged after 4 iterations. iteration 26: trace = 1.207704487630344 (9.11368e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 1.207704487187936 (3.66322e-08% change) linmin: converged after 19 iterations. iteration 28: trace = 1.207704487019392 (1.39558e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 1.207704486953282 (5.474e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 1.207704486927158 (2.16307e-09% change) linmin: converged after 2 iterations. iteration 31: trace = 1.207704486920011 (5.91798e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 1.207704486917498 (2.08052e-10% change) linmin: converged after 7 iterations. iteration 33: trace = 1.207704486916823 (5.59108e-11% change) Finished solving for bands 1 to 4 after 33 iterations. freqs:, 3, 0.68, 0, 0, 0.68, 0.506676, 0.511416, 0.580115, 0.594058 elapsed time for k point: 0.22220778465270996 zparity:, 3, 0.6430471097756447, -0.5132970565001864, 0.749333227902697, -0.5174581396280994 yparity:, 3, -1.0000092437102739, 0.9999867307863455, -0.9999773484878718, 0.9999739527336347 solve_kpoint (0.97,0,0): Solving for bands 1 to 4... linmin: converged after 6 iterations. iteration 1: trace = 1.937534840468752 (4.15315% change) linmin: converged after 6 iterations. iteration 2: trace = 1.902810987183435 (1.80837% change) linmin: converged after 5 iterations. iteration 3: trace = 1.89274028835154 (0.530658% change) linmin: converged after 5 iterations. iteration 4: trace = 1.888078677878067 (0.246593% change) linmin: converged after 5 iterations. iteration 5: trace = 1.885790637832564 (0.121257% change) linmin: converged after 4 iterations. iteration 6: trace = 1.884495797860613 (0.0686866% change) linmin: converged after 4 iterations. iteration 7: trace = 1.883742431334522 (0.0399851% change) linmin: converged after 4 iterations. iteration 8: trace = 1.883417285430755 (0.0172621% change) linmin: converged after 4 iterations. iteration 9: trace = 1.883289886588927 (0.00676447% change) linmin: converged after 4 iterations. iteration 10: trace = 1.883239300159769 (0.0026861% change) linmin: converged after 4 iterations. iteration 11: trace = 1.883213276357905 (0.00138187% change) linmin: converged after 4 iterations. iteration 12: trace = 1.883202552103174 (0.000569467% change) linmin: converged after 5 iterations. iteration 13: trace = 1.883195968261392 (0.000349609% change) linmin: converged after 5 iterations. iteration 14: trace = 1.883193887272418 (0.000110503% change) linmin: converged after 4 iterations. iteration 15: trace = 1.883193169554699 (3.81117e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 1.883192877574137 (1.55045e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 1.88319279458978 (4.40658e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 1.883192759151877 (1.8818e-06% change) linmin: converged after 3 iterations. iteration 19: trace = 1.883192748042752 (5.89909e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 1.883192744742938 (1.75224e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 1.883192743542448 (6.37476e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 1.883192743093157 (2.38579e-08% change) linmin: converged after 11 iterations. iteration 23: trace = 1.883192742911179 (9.66329e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 1.883192742851265 (3.18149e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 1.883192742827555 (1.25902e-09% change) linmin: converged after 6 iterations. iteration 26: trace = 1.883192742817964 (5.09294e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 1.883192742814812 (1.67383e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 1.883192742813691 (5.95203e-11% change) Finished solving for bands 1 to 4 after 28 iterations. freqs:, 4, 0.97, 0, 0, 0.97, 0.629793, 0.64279, 0.724022, 0.741057 elapsed time for k point: 0.3671889305114746 zparity:, 4, 0.9505599456752065, -0.795378249423283, 0.2909593295980241, -0.2599400191523577 yparity:, 4, -0.9999756485606782, 0.9999734198098535, -0.9999951573073973, 1.000002402143964 solve_kpoint (1.26,0,0): Solving for bands 1 to 4... linmin: converged after 7 iterations. iteration 1: trace = 2.691331240743783 (1.92976% change) linmin: converged after 5 iterations. iteration 2: trace = 2.671295720214913 (0.747228% change) linmin: converged after 5 iterations. iteration 3: trace = 2.664766792343676 (0.24471% change) linmin: converged after 4 iterations. iteration 4: trace = 2.656412156555789 (0.314014% change) linmin: converged after 6 iterations. iteration 5: trace = 2.640040929367222 (0.618196% change) linmin: converged after 7 iterations. iteration 6: trace = 2.625855470542893 (0.538767% change) linmin: converged after 6 iterations. iteration 7: trace = 2.61859509533755 (0.276878% change) linmin: converged after 4 iterations. iteration 8: trace = 2.614863948572113 (0.142588% change) linmin: converged after 4 iterations. iteration 9: trace = 2.611559983025121 (0.126433% change) linmin: converged after 4 iterations. iteration 10: trace = 2.608574632724415 (0.114378% change) linmin: converged after 4 iterations. iteration 11: trace = 2.606864668769023 (0.0655732% change) linmin: converged after 3 iterations. iteration 12: trace = 2.605988524621448 (0.0336148% change) linmin: converged after 4 iterations. iteration 13: trace = 2.605290071043019 (0.0268055% change) linmin: converged after 4 iterations. iteration 14: trace = 2.604861354163475 (0.016457% change) linmin: converged after 4 iterations. iteration 15: trace = 2.604545510497537 (0.0121259% change) linmin: converged after 3 iterations. iteration 16: trace = 2.604368153526517 (0.00680975% change) linmin: converged after 3 iterations. iteration 17: trace = 2.604272749286691 (0.00366331% change) linmin: converged after 3 iterations. iteration 18: trace = 2.604204130108292 (0.0026349% change) linmin: converged after 3 iterations. iteration 19: trace = 2.604166865970903 (0.00143093% change) linmin: converged after 3 iterations. iteration 20: trace = 2.604146033707185 (0.000799962% change) linmin: converged after 3 iterations. iteration 21: trace = 2.604132293019618 (0.000527648% change) linmin: converged after 4 iterations. iteration 22: trace = 2.604120260624077 (0.000462051% change) linmin: converged after 3 iterations. iteration 23: trace = 2.604114500336466 (0.000221199% change) linmin: converged after 4 iterations. iteration 24: trace = 2.604111450417451 (0.000117119% change) linmin: converged after 5 iterations. iteration 25: trace = 2.604109427544265 (7.768e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 2.604108092320861 (5.12737e-05% change) linmin: converged after 4 iterations. iteration 27: trace = 2.604107084206233 (3.87125e-05% change) linmin: converged after 4 iterations. iteration 28: trace = 2.60410665152511 (1.66153e-05% change) linmin: converged after 2 iterations. iteration 29: trace = 2.604106383464846 (1.02938e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 2.604106241639464 (5.44622e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 2.604106139753172 (3.91252e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 2.60410607419584 (2.51746e-06% change) linmin: converged after 12 iterations. iteration 33: trace = 2.604106025604114 (1.86597e-06% change) linmin: converged after 12 iterations. iteration 34: trace = 2.604105990411492 (1.35143e-06% change) linmin: converged after 25 iterations. iteration 35: trace = 2.60410597070486 (7.56752e-07% change) linmin: converged after 3 iterations. iteration 36: trace = 2.604105962023718 (3.33364e-07% change) linmin: converged after 4 iterations. iteration 37: trace = 2.604105957861818 (1.59821e-07% change) linmin: converged after 4 iterations. iteration 38: trace = 2.604105955505369 (9.04897e-08% change) linmin: converged after 3 iterations. iteration 39: trace = 2.604105953483433 (7.76441e-08% change) linmin: converged after 4 iterations. iteration 40: trace = 2.604105952144455 (5.1418e-08% change) linmin: converged after 2 iterations. iteration 41: trace = 2.604105951136531 (3.87052e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 2.604105950573186 (2.16329e-08% change) linmin: converged after 2 iterations. iteration 43: trace = 2.604105950242608 (1.26945e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 2.604105950072068 (6.54891e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 2.604105949971554 (3.8598e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 2.604105949909474 (2.38395e-09% change) linmin: converged after 11 iterations. iteration 47: trace = 2.604105949872306 (1.42729e-09% change) linmin: converged after 4 iterations. iteration 48: trace = 2.60410594984933 (8.8231e-10% change) linmin: converged after 5 iterations. iteration 49: trace = 2.604105949833435 (6.10376e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 2.604105949821812 (4.46322e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 2.604105949814575 (2.7792e-10% change) linmin: converged after 13 iterations. iteration 52: trace = 2.604105949811262 (1.27201e-10% change) linmin: converged after 5 iterations. iteration 53: trace = 2.604105949809357 (7.31762e-11% change) Finished solving for bands 1 to 4 after 53 iterations. freqs:, 5, 1.26, 0, 0, 1.26, 0.691833, 0.716391, 0.880207, 0.915146 elapsed time for k point: 0.5346047878265381 zparity:, 5, 0.989433203647212, -0.9410345597944496, -0.9057097520341679, 0.12590511654500938 yparity:, 5, -0.9999341958042025, 0.9999920496328631, -0.9999957145770669, 1.0000214447225875 solve_kpoint (1.55,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.266395069778824 (2.05094% change) linmin: converged after 5 iterations. iteration 2: trace = 3.232377355632402 (1.0469% change) linmin: converged after 5 iterations. iteration 3: trace = 3.204495549827901 (0.866315% change) linmin: converged after 4 iterations. iteration 4: trace = 3.187386698865646 (0.535331% change) linmin: converged after 4 iterations. iteration 5: trace = 3.178841158371629 (0.268465% change) linmin: converged after 4 iterations. iteration 6: trace = 3.174359784711398 (0.141075% change) linmin: converged after 4 iterations. iteration 7: trace = 3.172271429703166 (0.0658099% change) linmin: converged after 4 iterations. iteration 8: trace = 3.171344966966339 (0.0292093% change) linmin: converged after 4 iterations. iteration 9: trace = 3.171078223607465 (0.0084114% change) linmin: converged after 3 iterations. iteration 10: trace = 3.171008879397923 (0.00218679% change) linmin: converged after 4 iterations. iteration 11: trace = 3.170984754524611 (0.000760798% change) linmin: converged after 4 iterations. iteration 12: trace = 3.17097706778243 (0.000242409% change) linmin: converged after 5 iterations. iteration 13: trace = 3.170972828710284 (0.000133684% change) linmin: converged after 5 iterations. iteration 14: trace = 3.170971244290354 (4.99664e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 3.170970553226561 (2.17934e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 3.170970265011881 (9.08916e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 3.170970164109814 (3.18206e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 3.170970121317302 (1.34951e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 3.170970104220375 (5.3917e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 3.170970094225221 (3.15208e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 3.170970088061014 (1.94395e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 3.170970085145856 (9.19327e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.170970083948772 (3.77514e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 3.17097008353335 (1.31008e-08% change) linmin: converged after 2 iterations. iteration 25: trace = 3.170970083397891 (4.27185e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 3.170970083352964 (1.41681e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 3.170970083335021 (5.65851e-10% change) linmin: converged after 8 iterations. iteration 28: trace = 3.170970083326956 (2.54356e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 3.170970083323871 (9.72916e-11% change) Finished solving for bands 1 to 4 after 29 iterations. freqs:, 6, 1.55, 0, 0, 1.55, 0.750543, 0.778256, 0.948183, 1.0502 elapsed time for k point: 0.28006529808044434 zparity:, 6, 0.9953267395056951, -0.9730766670040221, -0.986247911215252, 0.7878496622631198 yparity:, 6, -0.9999079119735855, 0.9999964725103828, -1.000000377490359, 1.0001762821174565 solve_kpoint (1.84,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 3.70542176664522 (1.60572% change) linmin: converged after 5 iterations. iteration 2: trace = 3.680251297975054 (0.681603% change) linmin: converged after 5 iterations. iteration 3: trace = 3.671551008005009 (0.236685% change) linmin: converged after 4 iterations. iteration 4: trace = 3.667866331047656 (0.100408% change) linmin: converged after 4 iterations. iteration 5: trace = 3.666884708312741 (0.0267664% change) linmin: converged after 4 iterations. iteration 6: trace = 3.666380816936595 (0.0137426% change) linmin: converged after 4 iterations. iteration 7: trace = 3.666217749636358 (0.00444774% change) linmin: converged after 3 iterations. iteration 8: trace = 3.6661505829781 (0.00183206% change) linmin: converged after 5 iterations. iteration 9: trace = 3.666126412642431 (0.000659286% change) linmin: converged after 4 iterations. iteration 10: trace = 3.666119045925824 (0.00020094% change) linmin: converged after 5 iterations. iteration 11: trace = 3.66611614266722 (7.91916e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 3.666115478266013 (1.81228e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 3.666115258037461 (6.00714e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 3.666115190515089 (1.8418e-06% change) linmin: converged after 7 iterations. iteration 15: trace = 3.666115174200297 (4.45016e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 3.666115169279947 (1.34212e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 3.666115167850354 (3.89947e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 3.666115167237352 (1.67208e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 3.666115166888864 (9.50563e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 3.666115166571151 (8.6662e-09% change) large trace change predicted (1.8721e-08%) linmin: converged after 5 iterations. iteration 21: trace = 3.666115165884806 (1.87213e-08% change) large trace change predicted (4.39604e-08%) linmin: converged after 3 iterations. iteration 22: trace = 3.666115164273169 (4.39604e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 3.666115161714989 (6.9779e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 3.666115159305658 (6.57189e-08% change) linmin: converged after 22 iterations. iteration 25: trace = 3.666115157581601 (4.70268e-08% change) linmin: converged after 28 iterations. iteration 26: trace = 3.666115156371115 (3.30182e-08% change) linmin: converged after 17 iterations. iteration 27: trace = 3.666115155743585 (1.7117e-08% change) linmin: converged after 4 iterations. iteration 28: trace = 3.666115155488845 (6.94848e-09% change) linmin: converged after 9 iterations. iteration 29: trace = 3.66611515541628 (1.97934e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 3.666115155394754 (5.87182e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 3.666115155388817 (1.61931e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 3.666115155387485 (3.63279e-11% change) Finished solving for bands 1 to 4 after 32 iterations. freqs:, 7, 1.84, 0, 0, 1.84, 0.811564, 0.839559, 1.01283, 1.12995 elapsed time for k point: 0.40833377838134766 zparity:, 7, 0.9973241081197969, -0.984353627051524, -0.9920656947485795, 0.9432892229195069 yparity:, 7, -0.9998843493066407, 0.9999987176028036, -1.000004228955064, 1.000251295159799 solve_kpoint (2.13,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 4.179248358289504 (0.910349% change) linmin: converged after 4 iterations. iteration 2: trace = 4.167780338437884 (0.274781% change) linmin: converged after 4 iterations. iteration 3: trace = 4.165776414135161 (0.0480929% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16489707270989 (0.0211109% change) linmin: converged after 3 iterations. iteration 5: trace = 4.164637936358549 (0.00622211% change) linmin: converged after 4 iterations. iteration 6: trace = 4.164446201568919 (0.00460398% change) linmin: converged after 5 iterations. iteration 7: trace = 4.164369177258053 (0.00184959% change) linmin: converged after 5 iterations. iteration 8: trace = 4.164344541357718 (0.00059159% change) linmin: converged after 3 iterations. iteration 9: trace = 4.1643375227512 (0.000168541% change) linmin: converged after 4 iterations. iteration 10: trace = 4.1643358438107 (4.03171e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.164335332889637 (1.2269e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.16433523099087 (2.44694e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.164335202539397 (6.83218e-07% change) linmin: converged after 13 iterations. iteration 14: trace = 4.1643351877567 (3.54983e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 4.164335171932876 (3.79984e-07% change) large trace change predicted (1.02272e-06%) linmin: converged after 3 iterations. iteration 16: trace = 4.1643351293438 (1.02271e-06% change) large trace change predicted (8.89361e-06%) linmin: converged after 8 iterations. iteration 17: trace = 4.164334759043552 (8.89218e-06% change) near maximum in trace linmin: converged after 12 iterations. iteration 18: trace = 4.16316758638906 (0.0280318% change) linmin: converged after 9 iterations. iteration 19: trace = 4.163166876293172 (1.70566e-05% change) linmin: converged after 7 iterations. iteration 20: trace = 4.163166163752942 (1.71153e-05% change) linmin: converged after 8 iterations. iteration 21: trace = 4.163165449011131 (1.71682e-05% change) linmin: converged after 5 iterations. iteration 22: trace = 4.16316473228248 (1.7216e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.163164013755316 (1.72592e-05% change) linmin: converged after 5 iterations. iteration 24: trace = 4.163163293593025 (1.72984e-05% change) linmin: converged after 9 iterations. iteration 25: trace = 4.163162571935903 (1.73343e-05% change) linmin: converged after 7 iterations. iteration 26: trace = 4.163161848902639 (1.73674e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.163161124591937 (1.73981e-05% change) linmin: converged after 6 iterations. iteration 28: trace = 4.163160399084225 (1.74268e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.163159672443065 (1.74541e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.163158944716526 (1.74802e-05% change) linmin: converged after 5 iterations. iteration 31: trace = 4.163158215938651 (1.75054e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.163157486130701 (1.75302e-05% change) linmin: converged after 12 iterations. iteration 33: trace = 4.163156755302264 (1.75547e-05% change) linmin: converged after 21 iterations. iteration 34: trace = 4.163156023429362 (1.75798e-05% change) linmin: converged after 12 iterations. iteration 35: trace = 4.163155290546891 (1.7604e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.163154556597316 (1.76296e-05% change) linmin: converged after 5 iterations. iteration 37: trace = 4.163153821571862 (1.76555e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.163153085450248 (1.76818e-05% change) linmin: converged after 8 iterations. iteration 39: trace = 4.163152348177279 (1.77095e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.163151609704363 (1.77383e-05% change) linmin: converged after 6 iterations. iteration 41: trace = 4.163150869986995 (1.77682e-05% change) linmin: converged after 6 iterations. iteration 42: trace = 4.163150128967145 (1.77995e-05% change) linmin: converged after 5 iterations. iteration 43: trace = 4.163149386585701 (1.78322e-05% change) linmin: converged after 9 iterations. iteration 44: trace = 4.163148642780136 (1.78664e-05% change) linmin: converged after 10 iterations. iteration 45: trace = 4.163147897482164 (1.79023e-05% change) linmin: converged after 3 iterations. iteration 46: trace = 4.16314715062773 (1.79397e-05% change) linmin: converged after 12 iterations. iteration 47: trace = 4.163146402144422 (1.79788e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.163145651958501 (1.80197e-05% change) linmin: converged after 3 iterations. iteration 49: trace = 4.163144899994773 (1.80624e-05% change) linmin: converged after 8 iterations. iteration 50: trace = 4.163144146176415 (1.81069e-05% change) linmin: converged after 10 iterations. iteration 51: trace = 4.163143390425138 (1.81534e-05% change) linmin: converged after 8 iterations. iteration 52: trace = 4.163142632661325 (1.82017e-05% change) linmin: converged after 5 iterations. iteration 53: trace = 4.163141872804288 (1.8252e-05% change) linmin: converged after 5 iterations. iteration 54: trace = 4.16314111077236 (1.83043e-05% change) linmin: converged after 9 iterations. iteration 55: trace = 4.163140346483049 (1.83585e-05% change) linmin: converged after 12 iterations. iteration 56: trace = 4.163139579853148 (1.84147e-05% change) linmin: converged after 6 iterations. iteration 57: trace = 4.163138810798954 (1.84729e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.163138039236278 (1.85332e-05% change) linmin: converged after 8 iterations. iteration 59: trace = 4.163137265080522 (1.85955e-05% change) linmin: converged after 15 iterations. iteration 60: trace = 4.163136488246822 (1.86598e-05% change) linmin: converged after 5 iterations. iteration 61: trace = 4.163135708650155 (1.87262e-05% change) linmin: converged after 6 iterations. iteration 62: trace = 4.16313492620536 (1.87946e-05% change) linmin: converged after 6 iterations. iteration 63: trace = 4.163134140827234 (1.88651e-05% change) linmin: converged after 7 iterations. iteration 64: trace = 4.163133352430576 (1.89376e-05% change) linmin: converged after 4 iterations. iteration 65: trace = 4.163132560930322 (1.90121e-05% change) linmin: converged after 3 iterations. iteration 66: trace = 4.163131766241523 (1.90887e-05% change) linmin: converged after 10 iterations. iteration 67: trace = 4.163130968279442 (1.91674e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.163130166959633 (1.9248e-05% change) linmin: converged after 3 iterations. iteration 69: trace = 4.163129362197923 (1.93307e-05% change) resetting CG direction... large trace change predicted (0.20048%) linmin: converged after 4 iterations. iteration 70: trace = 4.154754269036366 (0.201376% change) linmin: converged after 4 iterations. iteration 71: trace = 4.151730774648329 (0.0727984% change) linmin: converged after 4 iterations. iteration 72: trace = 4.150327728248673 (0.0338% change) linmin: converged after 3 iterations. iteration 73: trace = 4.149564355410396 (0.0183948% change) linmin: converged after 9 iterations. iteration 74: trace = 4.149045216918441 (0.0125115% change) linmin: converged after 3 iterations. iteration 75: trace = 4.148540739501984 (0.0121596% change) linmin: converged after 4 iterations. iteration 76: trace = 4.147913030488091 (0.015132% change) linmin: converged after 5 iterations. iteration 77: trace = 4.14696335293775 (0.0228979% change) linmin: converged after 5 iterations. iteration 78: trace = 4.145419664772184 (0.0372315% change) linmin: converged after 5 iterations. iteration 79: trace = 4.143768420700608 (0.0398409% change) linmin: converged after 4 iterations. iteration 80: trace = 4.142813620967517 (0.0230445% change) linmin: converged after 4 iterations. iteration 81: trace = 4.142427718641198 (0.00931542% change) linmin: converged after 3 iterations. iteration 82: trace = 4.142309326847935 (0.00285807% change) linmin: converged after 3 iterations. iteration 83: trace = 4.142270291862667 (0.000942353% change) linmin: converged after 3 iterations. iteration 84: trace = 4.142259228354433 (0.000267088% change) linmin: converged after 4 iterations. iteration 85: trace = 4.142254098558954 (0.000123841% change) linmin: converged after 4 iterations. iteration 86: trace = 4.142251825495718 (5.4875e-05% change) linmin: converged after 5 iterations. iteration 87: trace = 4.142250854562075 (2.34398e-05% change) linmin: converged after 2 iterations. iteration 88: trace = 4.142250458252493 (9.56749e-06% change) linmin: converged after 6 iterations. iteration 89: trace = 4.142250016021885 (1.06761e-05% change) linmin: converged after 5 iterations. iteration 90: trace = 4.142249199751446 (1.9706e-05% change) linmin: converged after 5 iterations. iteration 91: trace = 4.142248059527486 (2.75267e-05% change) linmin: converged after 5 iterations. iteration 92: trace = 4.14224631521294 (4.21103e-05% change) linmin: converged after 6 iterations. iteration 93: trace = 4.142245417574321 (2.16703e-05% change) linmin: converged after 4 iterations. iteration 94: trace = 4.142245181154404 (5.70753e-06% change) linmin: converged after 2 iterations. iteration 95: trace = 4.142245107964157 (1.76692e-06% change) linmin: converged after 2 iterations. iteration 96: trace = 4.142245088102449 (4.79491e-07% change) linmin: converged after 2 iterations. iteration 97: trace = 4.142245076893952 (2.7059e-07% change) linmin: converged after 2 iterations. iteration 98: trace = 4.142245071669594 (1.26124e-07% change) linmin: converged after 2 iterations. iteration 99: trace = 4.142245069755909 (4.61992e-08% change) linmin: converged after 2 iterations. iteration 100: trace = 4.142245069000636 (1.82334e-08% change) linmin: converged after 3 iterations. iteration 101: trace = 4.142245068687432 (7.56123e-09% change) linmin: converged after 4 iterations. iteration 102: trace = 4.142245068426584 (6.29725e-09% change) linmin: converged after 2 iterations. iteration 103: trace = 4.14224506802549 (9.68302e-09% change) linmin: converged after 2 iterations. iteration 104: trace = 4.142245067241705 (1.89217e-08% change) linmin: converged after 2 iterations. iteration 105: trace = 4.142245066287538 (2.3035e-08% change) linmin: converged after 4 iterations. iteration 106: trace = 4.142245065572554 (1.72608e-08% change) linmin: converged after 2 iterations. iteration 107: trace = 4.142245065259731 (7.55203e-09% change) linmin: converged after 12 iterations. iteration 108: trace = 4.142245065162615 (2.34453e-09% change) linmin: converged after 3 iterations. iteration 109: trace = 4.142245065142515 (4.85231e-10% change) linmin: converged after 5 iterations. iteration 110: trace = 4.142245065136632 (1.42032e-10% change) linmin: converged after 2 iterations. iteration 111: trace = 4.142245065134214 (5.83864e-11% change) Finished solving for bands 1 to 4 after 111 iterations. freqs:, 8, 2.13, 0, 0, 2.13, 0.875475, 0.902606, 1.07764, 1.18313 elapsed time for k point: 1.1373095512390137 zparity:, 8, 0.9982486290503177, -0.9895791223046916, -0.9942480254116284, -0.9858374395357821 yparity:, 8, -0.9998633636102361, 1.0000002772665153, -1.0000094946193563, -0.9998446077472626 solve_kpoint (2.42,0,0): Solving for bands 1 to 4... linmin: converged after 5 iterations. iteration 1: trace = 4.665766465874563 (0.565815% change) linmin: converged after 4 iterations. iteration 2: trace = 4.659489395826522 (0.134625% change) linmin: converged after 4 iterations. iteration 3: trace = 4.658891363438755 (0.0128355% change) linmin: converged after 4 iterations. iteration 4: trace = 4.65871096353985 (0.00387224% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658687038855446 (0.000513549% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65868325667982 (8.11855e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.658682393128436 (1.85364e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.658682225170776 (3.60526e-06% change) linmin: converged after 34 iterations. iteration 9: trace = 4.658682176904288 (1.03605e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 4.658682160894788 (3.43649e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 4.658682157651009 (6.96287e-08% change) linmin: converged after 13 iterations. iteration 12: trace = 4.658682156823364 (1.77657e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.658682156624814 (4.26193e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 4.658682156534685 (1.93464e-09% change) linmin: converged after 2 iterations. iteration 15: trace = 4.658682156472834 (1.32767e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.658682156406861 (1.41613e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 4.658682156300657 (2.2797e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 4.658682156170637 (2.79091e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 4.658682156060237 (2.36978e-09% change) linmin: converged after 9 iterations. iteration 20: trace = 4.658682156016944 (9.29286e-10% change) linmin: converged after 4 iterations. iteration 21: trace = 4.658682156004986 (2.56691e-10% change) linmin: converged after 6 iterations. iteration 22: trace = 4.658682156001959 (6.49736e-11% change) Finished solving for bands 1 to 4 after 22 iterations. freqs:, 9, 2.42, 0, 0, 2.42, 0.942027, 0.967822, 1.14317, 1.23602 elapsed time for k point: 0.1977369785308838 zparity:, 9, 0.9987530861905035, -0.9924225574132503, -0.9954159207907368, -0.9908510257235786 yparity:, 9, -0.9998459146893053, 1.000001510036795, -1.0000160082783978, -0.9998409671139477 solve_kpoint (2.71,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.231306463684254 (0.398399% change) linmin: converged after 4 iterations. iteration 2: trace = 5.226476483996172 (0.092371% change) linmin: converged after 4 iterations. iteration 3: trace = 5.225996832030691 (0.00917777% change) linmin: converged after 4 iterations. iteration 4: trace = 5.225846177241163 (0.00288284% change) linmin: converged after 4 iterations. iteration 5: trace = 5.225825962252783 (0.000386828% change) linmin: converged after 5 iterations. iteration 6: trace = 5.225822836954248 (5.98049e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.225822132024473 (1.34894e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.225821997941996 (2.56577e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.225821960503556 (7.16412e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.225821946532259 (2.67351e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 5.225821943078972 (6.60812e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.225821942125431 (1.82467e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.225821941909169 (4.13833e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 5.225821941839987 (1.32385e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 5.225821941820714 (3.68812e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.22582194181603 (8.96197e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 10, 2.71, 0, 0, 2.71, 1.01083, 1.03512, 1.20959, 1.29208 elapsed time for k point: 0.20207738876342773 zparity:, 10, 0.999058451884413, -0.9941385054596745, -0.996144476211231, -0.9934909746544984 yparity:, 10, -0.999833271897719, 1.000002524621246, -1.0000230923335933, -0.9998348121389271 solve_kpoint (3,0,0): Solving for bands 1 to 4... linmin: converged after 4 iterations. iteration 1: trace = 5.849410752654952 (0.287035% change) linmin: converged after 4 iterations. iteration 2: trace = 5.84554894659623 (0.0660422% change) linmin: converged after 4 iterations. iteration 3: trace = 5.845128893013053 (0.00718613% change) linmin: converged after 4 iterations. iteration 4: trace = 5.844992170146368 (0.00233912% change) linmin: converged after 4 iterations. iteration 5: trace = 5.844973984450393 (0.000311133% change) linmin: converged after 2 iterations. iteration 6: trace = 5.844971151658916 (4.84654e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 5.844970494856534 (1.12371e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 5.84497036803691 (2.16972e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 5.844970331184175 (6.30503e-07% change) linmin: converged after 3 iterations. iteration 10: trace = 5.844970316460044 (2.51911e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 5.844970312633015 (6.54756e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 5.844970311596862 (1.77273e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 5.844970311355159 (4.13524e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 5.844970311278132 (1.31782e-09% change) linmin: converged after 10 iterations. iteration 15: trace = 5.844970311258017 (3.4415e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 5.844970311253993 (6.88361e-11% change) Finished solving for bands 1 to 4 after 16 iterations. freqs:, 11, 3, 0, 0, 3, 1.0815, 1.10429, 1.27693, 1.35105 Felapsed time for k point: 0.10842442512512207 zparity:, 11, 0.999257350936381, -0.9952507980580001, -0.9966396089669411, -0.9950905165813099 yparity:, 11, -0.9998264814151208, 1.000003358403511, -1.0000301573652695, -0.9998331550675029 Band 1 range: 0.08075820534047619 at Vector3<0.1, 0.0, 0.0> to 1.0814996932106427 at Vector3<3.0, 0.0, 0.0> Band 2 range: 0.0855765355012531 at Vector3<0.1, 0.0, 0.0> to 1.1042853097904504 at Vector3<3.0, 0.0, 0.0> Band 3 range: 0.3146996800331054 at Vector3<0.1, 0.0, 0.0> to 1.2769288087738555 at Vector3<3.0, 0.0, 0.0> Band 4 range: 0.39467479434568814 at Vector3<0.1, 0.0, 0.0> to 1.3510497758201543 at Vector3<3.0, 0.0, 0.0> total elapsed time for run: 3.9773147106170654 done /tmp/meepakjAzV/test_strip-0: 3.98s /tmp/meepakjAzV/test_subpixel_averaging-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.1, 0.0, 0.0> Vector3<0.2, 0.0, 0.0> Vector3<0.30000000000000004, 0.0, 0.0> Vector3<0.4, 0.0, 0.0> Vector3<0.5, 0.0, 0.0> Vector3<0.5, 0.1, 0.0> Vector3<0.5, 0.2, 0.0> Vector3<0.5, 0.30000000000000004, 0.0> Vector3<0.5, 0.4, 0.0> Vector3<0.5, 0.5, 0.0> Vector3<0.4, 0.4, 0.0> Vector3<0.3, 0.3, 0.0> Vector3<0.19999999999999996, 0.19999999999999996, 0.0> Vector3<0.09999999999999998, 0.09999999999999998, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.001382589340209961 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 16.43562660590545 (193.917% change) linmin: converged after 9 iterations. iteration 2: trace = 7.351920811739596 (76.3736% change) linmin: converged after 5 iterations. iteration 3: trace = 6.329941398682059 (14.9392% change) linmin: converged after 5 iterations. iteration 4: trace = 5.918442394744765 (6.71924% change) linmin: converged after 6 iterations. iteration 5: trace = 5.712255051629235 (3.54557% change) linmin: converged after 5 iterations. iteration 6: trace = 5.624721697129456 (1.54421% change) linmin: converged after 4 iterations. iteration 7: trace = 5.583016188267836 (0.744227% change) linmin: converged after 5 iterations. iteration 8: trace = 5.565960673646049 (0.305957% change) linmin: converged after 5 iterations. iteration 9: trace = 5.557351252900363 (0.1548% change) linmin: converged after 5 iterations. iteration 10: trace = 5.552443857308032 (0.0883436% change) linmin: converged after 4 iterations. iteration 11: trace = 5.550826665187532 (0.02913% change) linmin: converged after 4 iterations. iteration 12: trace = 5.550071017061157 (0.0136142% change) linmin: converged after 4 iterations. iteration 13: trace = 5.54966786513575 (0.00726417% change) linmin: converged after 4 iterations. iteration 14: trace = 5.549419098470304 (0.00448265% change) linmin: converged after 5 iterations. iteration 15: trace = 5.549201514030332 (0.00392093% change) linmin: converged after 6 iterations. iteration 16: trace = 5.549037844744959 (0.00294946% change) linmin: converged after 6 iterations. iteration 17: trace = 5.548889740788108 (0.00266904% change) linmin: converged after 6 iterations. iteration 18: trace = 5.548754804754168 (0.0024318% change) linmin: converged after 12 iterations. iteration 19: trace = 5.548644091159376 (0.00199531% change) linmin: converged after 6 iterations. iteration 20: trace = 5.548524364283067 (0.00215779% change) linmin: converged after 4 iterations. iteration 21: trace = 5.548418602726275 (0.00190614% change) linmin: converged after 9 iterations. iteration 22: trace = 5.54831793423716 (0.00181438% change) linmin: converged after 4 iterations. iteration 23: trace = 5.548235771340467 (0.00148087% change) linmin: converged after 5 iterations. iteration 24: trace = 5.548181174456428 (0.000984045% change) linmin: converged after 6 iterations. iteration 25: trace = 5.548144653663273 (0.00065825% change) linmin: converged after 5 iterations. iteration 26: trace = 5.548127351760882 (0.000311851% change) linmin: converged after 4 iterations. iteration 27: trace = 5.548121244542916 (0.000110077% change) linmin: converged after 5 iterations. iteration 28: trace = 5.548118926956611 (4.17725e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 5.548118170004834 (1.36434e-05% change) linmin: converged after 2 iterations. iteration 30: trace = 5.548117904025837 (4.79404e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 5.548117798474738 (1.90247e-06% change) linmin: converged after 2 iterations. iteration 32: trace = 5.548117757294501 (7.42238e-07% change) linmin: converged after 6 iterations. iteration 33: trace = 5.548117740307433 (3.06177e-07% change) linmin: converged after 4 iterations. iteration 34: trace = 5.548117733319903 (1.25944e-07% change) linmin: converged after 19 iterations. iteration 35: trace = 5.548117730674489 (4.76813e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 5.548117729177049 (2.69901e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 5.548117728234755 (1.6984e-08% change) linmin: converged after 3 iterations. iteration 38: trace = 5.548117727523406 (1.28214e-08% change) linmin: converged after 2 iterations. iteration 39: trace = 5.548117726999192 (9.44851e-09% change) linmin: converged after 5 iterations. iteration 40: trace = 5.548117726687245 (5.62257e-09% change) linmin: converged after 6 iterations. iteration 41: trace = 5.548117726496115 (3.44495e-09% change) linmin: converged after 3 iterations. iteration 42: trace = 5.548117726360592 (2.44269e-09% change) linmin: converged after 3 iterations. iteration 43: trace = 5.548117726206072 (2.78509e-09% change) linmin: converged after 12 iterations. iteration 44: trace = 5.548117726001958 (3.67898e-09% change) linmin: converged after 3 iterations. iteration 45: trace = 5.54811772579812 (3.674e-09% change) linmin: converged after 9 iterations. iteration 46: trace = 5.548117725621666 (3.18042e-09% change) linmin: converged after 4 iterations. iteration 47: trace = 5.548117725481585 (2.52485e-09% change) linmin: converged after 11 iterations. iteration 48: trace = 5.548117725398296 (1.50121e-09% change) linmin: converged after 3 iterations. iteration 49: trace = 5.548117725355051 (7.79445e-10% change) linmin: converged after 2 iterations. iteration 50: trace = 5.548117725335264 (3.56641e-10% change) linmin: converged after 3 iterations. iteration 51: trace = 5.548117725327502 (1.399e-10% change) linmin: converged after 3 iterations. iteration 52: trace = 5.548117725324898 (4.69373e-11% change) Finished solving for bands 2 to 8 after 52 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.14825177192687988 solve_kpoint (0.1,0,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.581244026696291 (0.239558% change) linmin: converged after 4 iterations. iteration 2: trace = 5.573791920490353 (0.13361% change) linmin: converged after 3 iterations. iteration 3: trace = 5.571430967957674 (0.0423671% change) linmin: converged after 3 iterations. iteration 4: trace = 5.569951525526862 (0.0265576% change) linmin: converged after 4 iterations. iteration 5: trace = 5.569099786966754 (0.0152928% change) linmin: converged after 4 iterations. iteration 6: trace = 5.56841212629927 (0.0123486% change) linmin: converged after 4 iterations. iteration 7: trace = 5.567981960122088 (0.00772541% change) linmin: converged after 4 iterations. iteration 8: trace = 5.567696791864468 (0.0051217% change) linmin: converged after 3 iterations. iteration 9: trace = 5.567558435607942 (0.00248501% change) linmin: converged after 3 iterations. iteration 10: trace = 5.567469488484435 (0.00159761% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567431480620304 (0.00068268% change) linmin: converged after 5 iterations. iteration 12: trace = 5.567416724766421 (0.000265039% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567411215307065 (9.8959e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.567409796393752 (2.54861e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 5.567409186003689 (1.09636e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 5.567408898969302 (5.15562e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.567408776891885 (2.19272e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.567408723106277 (9.6608e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.567408704724663 (3.30165e-07% change) linmin: converged after 14 iterations. iteration 20: trace = 5.567408695925334 (1.58051e-07% change) linmin: converged after 17 iterations. iteration 21: trace = 5.567408689562829 (1.14281e-07% change) linmin: converged after 5 iterations. iteration 22: trace = 5.5674086808831 (1.55903e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 5.567408666017929 (2.67003e-07% change) linmin: converged after 7 iterations. iteration 24: trace = 5.567408645087845 (3.75939e-07% change) linmin: converged after 3 iterations. iteration 25: trace = 5.567408614756993 (5.44793e-07% change) large trace change predicted (2.01083e-06%) linmin: converged after 3 iterations. iteration 26: trace = 5.567408502821107 (2.01056e-06% change) near maximum in trace linmin: converged after 13 iterations. iteration 27: trace = 5.566934829542728 (0.00850833% change) linmin: converged after 5 iterations. iteration 28: trace = 5.566934524365301 (5.48197e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.56693421917181 (5.48225e-06% change) linmin: converged after 5 iterations. iteration 30: trace = 5.566933914061373 (5.48076e-06% change) linmin: converged after 5 iterations. iteration 31: trace = 5.566933609120047 (5.47773e-06% change) linmin: converged after 6 iterations. iteration 32: trace = 5.566933304421815 (5.47336e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 5.566933000029539 (5.46786e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 5.566932695995904 (5.46142e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 5.566932392364325 (5.4542e-06% change) linmin: converged after 12 iterations. iteration 36: trace = 5.566932089169823 (5.44635e-06% change) linmin: converged after 6 iterations. iteration 37: trace = 5.566931786439851 (5.438e-06% change) linmin: converged after 5 iterations. iteration 38: trace = 5.566931484194996 (5.42929e-06% change) linmin: converged after 4 iterations. iteration 39: trace = 5.566931182449717 (5.42032e-06% change) linmin: converged after 5 iterations. iteration 40: trace = 5.566930881213081 (5.41118e-06% change) linmin: converged after 8 iterations. iteration 41: trace = 5.566930580489195 (5.40197e-06% change) linmin: converged after 5 iterations. iteration 42: trace = 5.566930280240772 (5.39343e-06% change) linmin: converged after 5 iterations. iteration 43: trace = 5.56692998053805 (5.38363e-06% change) linmin: converged after 5 iterations. iteration 44: trace = 5.566929681336541 (5.37462e-06% change) linmin: converged after 7 iterations. iteration 45: trace = 5.566929382625924 (5.36581e-06% change) linmin: converged after 6 iterations. iteration 46: trace = 5.566929084393262 (5.35722e-06% change) linmin: converged after 9 iterations. iteration 47: trace = 5.566928786623402 (5.34891e-06% change) linmin: converged after 8 iterations. iteration 48: trace = 5.566928489274805 (5.34134e-06% change) linmin: converged after 5 iterations. iteration 49: trace = 5.566928192377423 (5.33324e-06% change) linmin: converged after 5 iterations. iteration 50: trace = 5.566927895886632 (5.32593e-06% change) linmin: converged after 7 iterations. iteration 51: trace = 5.566927599780885 (5.31902e-06% change) linmin: converged after 16 iterations. iteration 52: trace = 5.566927304037658 (5.3125e-06% change) linmin: converged after 7 iterations. iteration 53: trace = 5.566927008617657 (5.3067e-06% change) linmin: converged after 10 iterations. iteration 54: trace = 5.566926713513174 (5.30103e-06% change) linmin: converged after 6 iterations. iteration 55: trace = 5.566926418706757 (5.29568e-06% change) linmin: converged after 6 iterations. iteration 56: trace = 5.566926124159851 (5.29102e-06% change) linmin: converged after 12 iterations. iteration 57: trace = 5.566925829865283 (5.28648e-06% change) linmin: converged after 6 iterations. iteration 58: trace = 5.566925535773461 (5.28284e-06% change) linmin: converged after 5 iterations. iteration 59: trace = 5.566925241879995 (5.27928e-06% change) linmin: converged after 8 iterations. iteration 60: trace = 5.566924948147853 (5.27638e-06% change) linmin: converged after 14 iterations. iteration 61: trace = 5.566924654550853 (5.27395e-06% change) linmin: converged after 18 iterations. iteration 62: trace = 5.56692436106193 (5.27201e-06% change) linmin: converged after 6 iterations. iteration 63: trace = 5.566924067654336 (5.27055e-06% change) linmin: converged after 11 iterations. iteration 64: trace = 5.566923774299564 (5.2696e-06% change) linmin: converged after 6 iterations. iteration 65: trace = 5.566923480981433 (5.26894e-06% change) linmin: converged after 6 iterations. iteration 66: trace = 5.566923187663264 (5.26895e-06% change) linmin: converged after 6 iterations. iteration 67: trace = 5.566922894329045 (5.26923e-06% change) linmin: converged after 11 iterations. iteration 68: trace = 5.566922600944731 (5.27013e-06% change) linmin: converged after 9 iterations. iteration 69: trace = 5.566922307489339 (5.27141e-06% change) resetting CG direction... large trace change predicted (0.0754139%) linmin: converged after 3 iterations. iteration 70: trace = 5.562718791619934 (0.0755373% change) linmin: converged after 4 iterations. iteration 71: trace = 5.559516684727867 (0.0575803% change) linmin: converged after 4 iterations. iteration 72: trace = 5.556793013230669 (0.0490032% change) linmin: converged after 4 iterations. iteration 73: trace = 5.554011967145533 (0.0500602% change) linmin: converged after 4 iterations. iteration 74: trace = 5.552006920056384 (0.0361074% change) linmin: converged after 4 iterations. iteration 75: trace = 5.550548836833941 (0.0262657% change) linmin: converged after 4 iterations. iteration 76: trace = 5.549458227577396 (0.0196506% change) linmin: converged after 4 iterations. iteration 77: trace = 5.548474819513256 (0.0177224% change) linmin: converged after 4 iterations. iteration 78: trace = 5.547115065462505 (0.0245098% change) linmin: converged after 4 iterations. iteration 79: trace = 5.54523632209241 (0.0338746% change) linmin: converged after 6 iterations. iteration 80: trace = 5.543229181113321 (0.0362023% change) linmin: converged after 6 iterations. iteration 81: trace = 5.541884533460034 (0.0242604% change) linmin: converged after 4 iterations. iteration 82: trace = 5.541240204148623 (0.0116272% change) linmin: converged after 4 iterations. iteration 83: trace = 5.540832188466245 (0.00736353% change) linmin: converged after 3 iterations. iteration 84: trace = 5.540632131596888 (0.00361066% change) linmin: converged after 3 iterations. iteration 85: trace = 5.54055123405935 (0.00146009% change) linmin: converged after 3 iterations. iteration 86: trace = 5.540517986674275 (0.000600075% change) linmin: converged after 3 iterations. iteration 87: trace = 5.54050759681813 (0.000187525% change) linmin: converged after 3 iterations. iteration 88: trace = 5.540503182668203 (7.96705e-05% change) linmin: converged after 3 iterations. iteration 89: trace = 5.540501522881892 (2.99573e-05% change) linmin: converged after 3 iterations. iteration 90: trace = 5.540500791169053 (1.32066e-05% change) linmin: converged after 12 iterations. iteration 91: trace = 5.540500269687302 (9.41218e-06% change) linmin: converged after 3 iterations. iteration 92: trace = 5.540499832753722 (7.88618e-06% change) linmin: converged after 4 iterations. iteration 93: trace = 5.540499529984381 (5.46466e-06% change) linmin: converged after 4 iterations. iteration 94: trace = 5.540499207679251 (5.81726e-06% change) linmin: converged after 3 iterations. iteration 95: trace = 5.5404987855849 (7.61835e-06% change) linmin: converged after 3 iterations. iteration 96: trace = 5.540498246200904 (9.7353e-06% change) linmin: converged after 5 iterations. iteration 97: trace = 5.54049771640989 (9.56216e-06% change) linmin: converged after 5 iterations. iteration 98: trace = 5.540497529954368 (3.36532e-06% change) linmin: converged after 26 iterations. iteration 99: trace = 5.540497433377698 (1.7431e-06% change) linmin: converged after 2 iterations. iteration 100: trace = 5.540497373186719 (1.08638e-06% change) linmin: converged after 8 iterations. iteration 101: trace = 5.540497320981153 (9.42254e-07% change) linmin: converged after 3 iterations. iteration 102: trace = 5.540497282513331 (6.94303e-07% change) linmin: converged after 22 iterations. iteration 103: trace = 5.540497260435645 (3.98478e-07% change) linmin: converged after 2 iterations. iteration 104: trace = 5.540497250242961 (1.83967e-07% change) linmin: converged after 5 iterations. iteration 105: trace = 5.540497245842277 (7.94276e-08% change) linmin: converged after 25 iterations. iteration 106: trace = 5.540497244298808 (2.78579e-08% change) linmin: converged after 6 iterations. iteration 107: trace = 5.540497243578134 (1.30074e-08% change) linmin: converged after 4 iterations. iteration 108: trace = 5.54049724325245 (5.87825e-09% change) linmin: converged after 20 iterations. iteration 109: trace = 5.540497243063644 (3.40773e-09% change) linmin: converged after 13 iterations. iteration 110: trace = 5.54049724295813 (1.90441e-09% change) linmin: converged after 4 iterations. iteration 111: trace = 5.540497242914601 (7.85663e-10% change) linmin: converged after 10 iterations. iteration 112: trace = 5.540497242879622 (6.3132e-10% change) linmin: converged after 6 iterations. iteration 113: trace = 5.540497242844232 (6.38758e-10% change) linmin: converged after 14 iterations. iteration 114: trace = 5.540497242790359 (9.72356e-10% change) linmin: converged after 22 iterations. iteration 115: trace = 5.540497242723196 (1.21221e-09% change) linmin: converged after 4 iterations. iteration 116: trace = 5.540497242658466 (1.16831e-09% change) linmin: converged after 4 iterations. iteration 117: trace = 5.540497242618899 (7.14134e-10% change) linmin: converged after 5 iterations. iteration 118: trace = 5.540497242597729 (3.82107e-10% change) linmin: converged after 8 iterations. iteration 119: trace = 5.540497242587063 (1.92512e-10% change) linmin: converged after 6 iterations. iteration 120: trace = 5.540497242581516 (1.00111e-10% change) linmin: converged after 7 iterations. iteration 121: trace = 5.540497242579411 (3.79927e-11% change) Finished solving for bands 1 to 8 after 121 iterations. tefreqs:, 2, 0.1, 0, 0, 0.1, 0.0897332, 0.551138, 0.7616, 0.774682, 0.907199, 1.00188, 1.00357, 1.10209 elapsed time for k point: 0.42717719078063965 solve_kpoint (0.2,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.514285081906886 (0.408522% change) linmin: converged after 3 iterations. iteration 2: trace = 5.503847029230354 (0.18947% change) linmin: converged after 4 iterations. iteration 3: trace = 5.500839358016661 (0.0546616% change) linmin: converged after 3 iterations. iteration 4: trace = 5.499875093768127 (0.0175309% change) linmin: converged after 3 iterations. iteration 5: trace = 5.499509680600027 (0.00664425% change) linmin: converged after 3 iterations. iteration 6: trace = 5.499421768472869 (0.00159856% change) linmin: converged after 5 iterations. iteration 7: trace = 5.499394110717561 (0.000502922% change) linmin: converged after 4 iterations. iteration 8: trace = 5.499382402903615 (0.000212893% change) linmin: converged after 3 iterations. iteration 9: trace = 5.499378154644921 (7.72498e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.499376203354411 (3.5482e-05% change) linmin: converged after 28 iterations. iteration 11: trace = 5.499375450158951 (1.3696e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.499375151065394 (5.43868e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.499375016510649 (2.44673e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.499374968565682 (8.71826e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.499374952684473 (2.88782e-07% change) linmin: converged after 27 iterations. iteration 16: trace = 5.499374947904291 (8.69223e-08% change) linmin: converged after 30 iterations. iteration 17: trace = 5.499374946845082 (1.92605e-08% change) linmin: converged after 22 iterations. iteration 18: trace = 5.499374946585426 (4.72156e-09% change) linmin: converged after 21 iterations. iteration 19: trace = 5.499374946459588 (2.28822e-09% change) linmin: converged after 10 iterations. iteration 20: trace = 5.499374946407673 (9.44015e-10% change) linmin: converged after 9 iterations. iteration 21: trace = 5.499374946373185 (6.27125e-10% change) linmin: converged after 11 iterations. iteration 22: trace = 5.499374946343336 (5.42771e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.499374946309961 (6.06872e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.499374946288365 (3.927e-10% change) linmin: converged after 6 iterations. iteration 25: trace = 5.49937494627979 (1.55933e-10% change) linmin: converged after 6 iterations. iteration 26: trace = 5.499374946276062 (6.77838e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 3, 0.2, 0, 0, 0.2, 0.178692, 0.544896, 0.728534, 0.778528, 0.880244, 1.00699, 1.01696, 1.10027 elapsed time for k point: 0.09864401817321777 solve_kpoint (0.3,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.496167070060288 (0.277969% change) linmin: converged after 4 iterations. iteration 2: trace = 5.48951410918756 (0.121121% change) linmin: converged after 4 iterations. iteration 3: trace = 5.487056111946258 (0.0447863% change) linmin: converged after 4 iterations. iteration 4: trace = 5.486204983972192 (0.0155128% change) linmin: converged after 4 iterations. iteration 5: trace = 5.485739009583129 (0.00849393% change) linmin: converged after 4 iterations. iteration 6: trace = 5.485576060149454 (0.00297046% change) linmin: converged after 4 iterations. iteration 7: trace = 5.485498517235754 (0.00141359% change) linmin: converged after 3 iterations. iteration 8: trace = 5.4854697726345 (0.000524012% change) linmin: converged after 3 iterations. iteration 9: trace = 5.485462046450172 (0.000140848% change) linmin: converged after 3 iterations. iteration 10: trace = 5.485459952535452 (3.81721e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.485459325302669 (1.14345e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.485459175740715 (2.72652e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.48545912322453 (9.57371e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.485459100856747 (4.07765e-07% change) linmin: converged after 18 iterations. iteration 15: trace = 5.485459090161682 (1.94971e-07% change) linmin: converged after 7 iterations. iteration 16: trace = 5.485459083892913 (1.1428e-07% change) linmin: converged after 8 iterations. iteration 17: trace = 5.485459081556675 (4.25897e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 5.485459080639317 (1.67234e-08% change) linmin: converged after 20 iterations. iteration 19: trace = 5.485459080258163 (6.94844e-09% change) linmin: converged after 3 iterations. iteration 20: trace = 5.485459080162861 (1.73736e-09% change) linmin: converged after 11 iterations. iteration 21: trace = 5.485459080117774 (8.21929e-10% change) linmin: converged after 9 iterations. iteration 22: trace = 5.485459080098432 (3.52602e-10% change) linmin: converged after 9 iterations. iteration 23: trace = 5.485459080091234 (1.31232e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.48545908008786 (6.14953e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 4, 0.3, 0, 0, 0.3, 0.265798, 0.528176, 0.685449, 0.783377, 0.860714, 1.01515, 1.03843, 1.09664 elapsed time for k point: 0.08505368232727051 solve_kpoint (0.4,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.518147023690265 (0.240192% change) linmin: converged after 4 iterations. iteration 2: trace = 5.511306601559527 (0.124039% change) linmin: converged after 4 iterations. iteration 3: trace = 5.507821987779131 (0.0632466% change) linmin: converged after 4 iterations. iteration 4: trace = 5.506156809291422 (0.0302375% change) linmin: converged after 4 iterations. iteration 5: trace = 5.505014443436545 (0.0207492% change) linmin: converged after 4 iterations. iteration 6: trace = 5.504615742668776 (0.00724276% change) linmin: converged after 4 iterations. iteration 7: trace = 5.504452843729419 (0.00295936% change) linmin: converged after 3 iterations. iteration 8: trace = 5.504400792832037 (0.000945619% change) linmin: converged after 3 iterations. iteration 9: trace = 5.504383084535172 (0.000321712% change) linmin: converged after 3 iterations. iteration 10: trace = 5.504375542715457 (0.000137015% change) linmin: converged after 11 iterations. iteration 11: trace = 5.504370385451025 (9.36939e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.504366787323759 (6.53686e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.50436412949685 (4.82858e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.504362897098144 (2.23895e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 5.504362429759303 (8.49034e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.504362239277652 (3.46056e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 5.504362167575551 (1.30264e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 5.504362121909873 (8.29627e-07% change) linmin: converged after 9 iterations. iteration 19: trace = 5.504362102222033 (3.57677e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 5.504362095716729 (1.18185e-07% change) linmin: converged after 6 iterations. iteration 21: trace = 5.50436209349091 (4.04374e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 5.504362092750767 (1.34465e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.504362092362589 (7.0522e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.504362092126027 (4.29772e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.504362092030183 (1.74124e-09% change) linmin: converged after 7 iterations. iteration 26: trace = 5.504362091995298 (6.3377e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 5.504362091984236 (2.00973e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.504362091981035 (5.81538e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 5, 0.4, 0, 0, 0.4, 0.348956, 0.490738, 0.652797, 0.787382, 0.849999, 1.02443, 1.06441, 1.09121 elapsed time for k point: 0.09558820724487305 solve_kpoint (0.5,0,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.568069373818651 (0.237536% change) linmin: converged after 5 iterations. iteration 2: trace = 5.559193679621043 (0.159531% change) linmin: converged after 5 iterations. iteration 3: trace = 5.553720061373713 (0.0985091% change) linmin: converged after 4 iterations. iteration 4: trace = 5.550289343178518 (0.0617924% change) linmin: converged after 5 iterations. iteration 5: trace = 5.547642553180676 (0.0476988% change) linmin: converged after 4 iterations. iteration 6: trace = 5.546434996600942 (0.0217694% change) linmin: converged after 4 iterations. iteration 7: trace = 5.545492367565776 (0.0169967% change) linmin: converged after 4 iterations. iteration 8: trace = 5.544438112740755 (0.0190128% change) linmin: converged after 5 iterations. iteration 9: trace = 5.54289953368532 (0.0277538% change) linmin: converged after 5 iterations. iteration 10: trace = 5.541163952443529 (0.0313167% change) linmin: converged after 5 iterations. iteration 11: trace = 5.539949116714777 (0.0219262% change) linmin: converged after 3 iterations. iteration 12: trace = 5.539378334259752 (0.0103036% change) linmin: converged after 3 iterations. iteration 13: trace = 5.539089347189849 (0.00521709% change) linmin: converged after 3 iterations. iteration 14: trace = 5.538953243693498 (0.00245718% change) linmin: converged after 3 iterations. iteration 15: trace = 5.538903646652978 (0.000895427% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538883460689273 (0.00036444% change) linmin: converged after 4 iterations. iteration 17: trace = 5.538874617647872 (0.000159654% change) linmin: converged after 4 iterations. iteration 18: trace = 5.538870014294863 (8.31099e-05% change) linmin: converged after 3 iterations. iteration 19: trace = 5.538868744327795 (2.29283e-05% change) linmin: converged after 5 iterations. iteration 20: trace = 5.538868254295127 (8.84716e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 5.538867928490538 (5.88215e-06% change) linmin: converged after 4 iterations. iteration 22: trace = 5.538867707344402 (3.99262e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 5.538867530765351 (3.188e-06% change) linmin: converged after 4 iterations. iteration 24: trace = 5.53886739246035 (2.49699e-06% change) linmin: converged after 3 iterations. iteration 25: trace = 5.538867282536007 (1.9846e-06% change) linmin: converged after 17 iterations. iteration 26: trace = 5.538867196566912 (1.55211e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 5.53886710778676 (1.60286e-06% change) linmin: converged after 3 iterations. iteration 28: trace = 5.538866990688422 (2.11412e-06% change) linmin: converged after 5 iterations. iteration 29: trace = 5.538866904154337 (1.56231e-06% change) linmin: converged after 2 iterations. iteration 30: trace = 5.5388668773404 (4.84105e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 5.538866871035908 (1.13823e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 5.538866869549318 (2.68393e-08% change) linmin: converged after 3 iterations. iteration 33: trace = 5.538866869089929 (8.2939e-09% change) linmin: converged after 9 iterations. iteration 34: trace = 5.538866868883861 (3.7204e-09% change) linmin: converged after 2 iterations. iteration 35: trace = 5.538866868762629 (2.18877e-09% change) linmin: converged after 4 iterations. iteration 36: trace = 5.538866868693164 (1.25413e-09% change) linmin: converged after 4 iterations. iteration 37: trace = 5.538866868641579 (9.31335e-10% change) linmin: converged after 2 iterations. iteration 38: trace = 5.538866868615235 (4.75609e-10% change) linmin: converged after 3 iterations. iteration 39: trace = 5.538866868605667 (1.72749e-10% change) linmin: converged after 3 iterations. iteration 40: trace = 5.538866868600115 (1.00237e-10% change) linmin: converged after 18 iterations. iteration 41: trace = 5.538866868590837 (1.67506e-10% change) linmin: converged after 4 iterations. iteration 42: trace = 5.538866868573501 (3.12995e-10% change) linmin: converged after 3 iterations. iteration 43: trace = 5.538866868559314 (2.56133e-10% change) linmin: converged after 5 iterations. iteration 44: trace = 5.538866868553965 (9.65651e-11% change) Finished solving for bands 1 to 8 after 44 iterations. tefreqs:, 6, 0.5, 0, 0, 0.5, 0.412791, 0.441588, 0.641998, 0.788933, 0.846588, 1.02916, 1.08607, 1.08787 elapsed time for k point: 0.1505746841430664 solve_kpoint (0.5,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.49084703371067 (1.61896% change) linmin: converged after 5 iterations. iteration 2: trace = 5.441600081941158 (0.900932% change) linmin: converged after 4 iterations. iteration 3: trace = 5.429126780898647 (0.229484% change) linmin: converged after 3 iterations. iteration 4: trace = 5.42393492273816 (0.0956755% change) linmin: converged after 3 iterations. iteration 5: trace = 5.421565451083263 (0.043695% change) linmin: converged after 4 iterations. iteration 6: trace = 5.420537496868401 (0.0189623% change) linmin: converged after 4 iterations. iteration 7: trace = 5.420079757030999 (0.0084449% change) linmin: converged after 4 iterations. iteration 8: trace = 5.419922055599717 (0.00290962% change) linmin: converged after 4 iterations. iteration 9: trace = 5.41986180279239 (0.0011117% change) linmin: converged after 5 iterations. iteration 10: trace = 5.419827885109797 (0.000625805% change) linmin: converged after 7 iterations. iteration 11: trace = 5.419810483680828 (0.00032107% change) linmin: converged after 5 iterations. iteration 12: trace = 5.419802182901274 (0.000153156% change) linmin: converged after 5 iterations. iteration 13: trace = 5.419798984057767 (5.90214e-05% change) linmin: converged after 10 iterations. iteration 14: trace = 5.419798149677873 (1.5395e-05% change) linmin: converged after 19 iterations. iteration 15: trace = 5.419797850965123 (5.51151e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.419797772322707 (1.45102e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 5.419797748546657 (4.38689e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.419797738573457 (1.84014e-07% change) linmin: converged after 28 iterations. iteration 19: trace = 5.419797735608387 (5.47081e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.419797734088983 (2.80343e-08% change) linmin: converged after 9 iterations. iteration 21: trace = 5.419797733507751 (1.07243e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 5.419797733261651 (4.54074e-09% change) linmin: converged after 8 iterations. iteration 23: trace = 5.419797733151186 (2.03818e-09% change) linmin: converged after 3 iterations. iteration 24: trace = 5.419797733102886 (8.91178e-10% change) linmin: converged after 7 iterations. iteration 25: trace = 5.419797733077012 (4.77389e-10% change) linmin: converged after 9 iterations. iteration 26: trace = 5.419797733054175 (4.21376e-10% change) linmin: converged after 12 iterations. iteration 27: trace = 5.419797733031989 (4.09348e-10% change) linmin: converged after 9 iterations. iteration 28: trace = 5.419797733016723 (2.81671e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.419797733003429 (2.45274e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 5.419797732989451 (2.57909e-10% change) linmin: converged after 5 iterations. iteration 31: trace = 5.419797732973866 (2.87571e-10% change) linmin: converged after 4 iterations. iteration 32: trace = 5.419797732963333 (1.94341e-10% change) linmin: converged after 15 iterations. iteration 33: trace = 5.419797732958386 (9.12793e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 7, 0.5, 0.1, 0, 0.509902, 0.423741, 0.445781, 0.63823, 0.793147, 0.842943, 0.986523, 1.05018, 1.10383 elapsed time for k point: 0.11280298233032227 solve_kpoint (0.5,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.256818585098777 (0.493447% change) linmin: converged after 5 iterations. iteration 2: trace = 5.245516345181586 (0.215233% change) linmin: converged after 4 iterations. iteration 3: trace = 5.242859628587797 (0.0506602% change) linmin: converged after 4 iterations. iteration 4: trace = 5.241807773571611 (0.0200646% change) linmin: converged after 3 iterations. iteration 5: trace = 5.241214212212757 (0.0113242% change) linmin: converged after 4 iterations. iteration 6: trace = 5.241004235880027 (0.00400633% change) linmin: converged after 4 iterations. iteration 7: trace = 5.240908449573547 (0.00182765% change) linmin: converged after 8 iterations. iteration 8: trace = 5.240871741597562 (0.000700415% change) linmin: converged after 4 iterations. iteration 9: trace = 5.240860283765952 (0.000218625% change) linmin: converged after 5 iterations. iteration 10: trace = 5.24085547787732 (9.17004e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.24085436469908 (2.12404e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.240854047786506 (6.04696e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 5.240853968321852 (1.51625e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.240853954364818 (2.66312e-07% change) linmin: converged after 21 iterations. iteration 15: trace = 5.240853950743152 (6.91045e-08% change) linmin: converged after 4 iterations. iteration 16: trace = 5.240853949555009 (2.26708e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.240853949179418 (7.1666e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.24085394903169 (2.81878e-09% change) linmin: converged after 6 iterations. iteration 19: trace = 5.240853948976921 (1.04503e-09% change) linmin: converged after 7 iterations. iteration 20: trace = 5.240853948939872 (7.06936e-10% change) linmin: converged after 8 iterations. iteration 21: trace = 5.240853948883506 (1.07552e-09% change) linmin: converged after 12 iterations. iteration 22: trace = 5.240853948833732 (9.49722e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.240853948802546 (5.9505e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.2408539487782 (4.6454e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.240853948757238 (3.99988e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 5.240853948742307 (2.84883e-10% change) linmin: converged after 6 iterations. iteration 27: trace = 5.240853948735852 (1.23172e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.24085394873392 (3.68602e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 8, 0.5, 0.2, 0, 0.538516, 0.454781, 0.457434, 0.627898, 0.805254, 0.826101, 0.927945, 1.00456, 1.10879 elapsed time for k point: 0.09724760055541992 solve_kpoint (0.5,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.102472984911209 (0.252117% change) linmin: converged after 3 iterations. iteration 2: trace = 5.098134061052458 (0.0850719% change) linmin: converged after 4 iterations. iteration 3: trace = 5.097086787865958 (0.0205444% change) linmin: converged after 4 iterations. iteration 4: trace = 5.096768814833572 (0.00623852% change) linmin: converged after 13 iterations. iteration 5: trace = 5.096616721986512 (0.00298415% change) linmin: converged after 11 iterations. iteration 6: trace = 5.096573167031289 (0.000854589% change) linmin: converged after 3 iterations. iteration 7: trace = 5.09655638746635 (0.000329233% change) linmin: converged after 5 iterations. iteration 8: trace = 5.096548105121041 (0.000162509% change) linmin: converged after 4 iterations. iteration 9: trace = 5.096545531978274 (5.0488e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.096544550143703 (1.92647e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.096544340283728 (4.11769e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.096544290838737 (9.70167e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.096544277659972 (2.58582e-07% change) linmin: converged after 29 iterations. iteration 14: trace = 5.09654427463756 (5.93032e-08% change) linmin: converged after 10 iterations. iteration 15: trace = 5.09654427395644 (1.33644e-08% change) linmin: converged after 18 iterations. iteration 16: trace = 5.096544273766979 (3.71744e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 5.096544273707485 (1.16735e-09% change) linmin: converged after 6 iterations. iteration 18: trace = 5.096544273672404 (6.88334e-10% change) linmin: converged after 3 iterations. iteration 19: trace = 5.096544273621834 (9.92228e-10% change) linmin: converged after 2 iterations. iteration 20: trace = 5.096544273547277 (1.4629e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.096544273463907 (1.63581e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.096544273426183 (7.40197e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.096544273414493 (2.29358e-10% change) linmin: converged after 5 iterations. iteration 24: trace = 5.096544273410623 (7.59472e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 9, 0.5, 0.3, 0, 0.583095, 0.473767, 0.501279, 0.61358, 0.781467, 0.824181, 0.894949, 0.959051, 1.1107 elapsed time for k point: 0.08899283409118652 solve_kpoint (0.5,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.010057945911666 (0.187174% change) linmin: converged after 3 iterations. iteration 2: trace = 5.007389306962615 (0.0532798% change) linmin: converged after 4 iterations. iteration 3: trace = 5.006708599252572 (0.013595% change) linmin: converged after 4 iterations. iteration 4: trace = 5.006529313190668 (0.00358098% change) linmin: converged after 3 iterations. iteration 5: trace = 5.006460294301386 (0.00137859% change) linmin: converged after 5 iterations. iteration 6: trace = 5.006443503180252 (0.00033539% change) linmin: converged after 3 iterations. iteration 7: trace = 5.006439503863547 (7.98834e-05% change) linmin: converged after 6 iterations. iteration 8: trace = 5.006437606345092 (3.79016e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 5.006436969310696 (1.27243e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.006436638672482 (6.60426e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.006436539138802 (1.98811e-06% change) linmin: converged after 3 iterations. iteration 12: trace = 5.006436508297354 (6.16036e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 5.006436499318632 (1.79344e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.006436497214724 (4.20241e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.006436496812789 (8.02835e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 5.006436496713432 (1.98458e-09% change) linmin: converged after 7 iterations. iteration 17: trace = 5.006436496673633 (7.94962e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 5.006436496632916 (8.13288e-10% change) large trace change predicted (2.20203e-09%) linmin: converged after 5 iterations. iteration 19: trace = 5.00643649652267 (2.20209e-09% change) linmin: converged after 5 iterations. iteration 20: trace = 5.006436496410074 (2.24903e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.006436496357252 (1.05508e-09% change) linmin: converged after 2 iterations. iteration 22: trace = 5.006436496344436 (2.55999e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.006436496341392 (6.07975e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 10, 0.5, 0.4, 0, 0.640312, 0.489649, 0.556045, 0.59957, 0.719611, 0.849247, 0.884337, 0.917168, 1.11162 elapsed time for k point: 0.07828450202941895 solve_kpoint (0.5,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.978993750422817 (0.165173% change) linmin: converged after 4 iterations. iteration 2: trace = 4.976790350142001 (0.0442637% change) linmin: converged after 4 iterations. iteration 3: trace = 4.976199668874767 (0.0118694% change) linmin: converged after 4 iterations. iteration 4: trace = 4.976051201931419 (0.00298359% change) linmin: converged after 5 iterations. iteration 5: trace = 4.975999205362136 (0.00104494% change) linmin: converged after 3 iterations. iteration 6: trace = 4.97598715319157 (0.000242206% change) linmin: converged after 2 iterations. iteration 7: trace = 4.975985115125745 (4.0958e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 4.975984462449285 (1.31165e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 4.975984347964267 (2.30075e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 4.975984301211392 (9.3957e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.975984281705346 (3.92004e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 4.975984271802613 (1.99011e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.975984267495479 (8.65584e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.975984266162572 (2.67868e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 4.975984265893698 (5.40343e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 4.975984265819599 (1.48913e-09% change) linmin: converged after 4 iterations. iteration 17: trace = 4.975984265774336 (9.09618e-10% change) linmin: converged after 2 iterations. iteration 18: trace = 4.975984265706848 (1.35628e-09% change) large trace change predicted (3.48831e-09%) linmin: converged after 2 iterations. iteration 19: trace = 4.975984265533264 (3.48843e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.975984265426868 (2.13819e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 4.975984265393327 (6.74061e-10% change) linmin: converged after 3 iterations. iteration 22: trace = 4.975984265384501 (1.77386e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.975984265381786 (5.45475e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 11, 0.5, 0.5, 0, 0.707107, 0.496836, 0.593141, 0.593154, 0.679169, 0.878684, 0.881977, 0.881982, 1.11192 elapsed time for k point: 0.07993102073669434 solve_kpoint (0.4,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.042733647627903 (0.320838% change) linmin: converged after 4 iterations. iteration 2: trace = 5.038219694841113 (0.0895541% change) linmin: converged after 4 iterations. iteration 3: trace = 5.036942796213694 (0.0253475% change) linmin: converged after 4 iterations. iteration 4: trace = 5.036564344352595 (0.00751381% change) linmin: converged after 4 iterations. iteration 5: trace = 5.03642296255062 (0.00280715% change) linmin: converged after 5 iterations. iteration 6: trace = 5.036388281602308 (0.000688605% change) linmin: converged after 4 iterations. iteration 7: trace = 5.036381725959922 (0.000130166% change) linmin: converged after 5 iterations. iteration 8: trace = 5.036379322251285 (4.77269e-05% change) linmin: converged after 3 iterations. iteration 9: trace = 5.03637878032387 (1.07603e-05% change) linmin: converged after 6 iterations. iteration 10: trace = 5.036378561422627 (4.3464e-06% change) linmin: converged after 8 iterations. iteration 11: trace = 5.036378497300782 (1.27317e-06% change) linmin: converged after 13 iterations. iteration 12: trace = 5.036378484106164 (2.61986e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.036378480911186 (6.3438e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 5.036378480128368 (1.55433e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 5.036378479954637 (3.44953e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.036378479909356 (8.99081e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 5.036378479898021 (2.25061e-10% change) linmin: converged after 8 iterations. iteration 18: trace = 5.036378479895269 (5.4634e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tefreqs:, 12, 0.4, 0.4, 0, 0.565685, 0.470987, 0.546003, 0.606732, 0.743602, 0.839223, 0.882254, 0.93697, 1.11121 elapsed time for k point: 0.07694458961486816 solve_kpoint (0.3,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.219132352141679 (0.375945% change) linmin: converged after 5 iterations. iteration 2: trace = 5.211330254295405 (0.149602% change) linmin: converged after 4 iterations. iteration 3: trace = 5.20858245950052 (0.0527412% change) linmin: converged after 4 iterations. iteration 4: trace = 5.207407191114015 (0.0225666% change) linmin: converged after 4 iterations. iteration 5: trace = 5.206822251346342 (0.0112335% change) linmin: converged after 4 iterations. iteration 6: trace = 5.206658183445304 (0.00315107% change) linmin: converged after 4 iterations. iteration 7: trace = 5.20660483148758 (0.00102469% change) linmin: converged after 5 iterations. iteration 8: trace = 5.20657931918138 (0.00049% change) linmin: converged after 5 iterations. iteration 9: trace = 5.206571394211488 (0.000152211% change) linmin: converged after 4 iterations. iteration 10: trace = 5.206567821670558 (6.8616e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.206566741448365 (2.07473e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.20656643549153 (5.87636e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.206566333737292 (1.95434e-06% change) linmin: converged after 28 iterations. iteration 14: trace = 5.206566313192127 (3.94601e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.20656630808215 (9.81449e-08% change) linmin: converged after 19 iterations. iteration 16: trace = 5.206566306507293 (3.02475e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.206566306040203 (8.97116e-09% change) linmin: converged after 5 iterations. iteration 18: trace = 5.206566305927631 (2.16212e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.206566305900048 (5.29779e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.206566305893741 (1.21135e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.206566305891688 (3.944e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 13, 0.3, 0.3, 0, 0.424264, 0.372435, 0.536186, 0.644572, 0.809689, 0.825804, 0.883642, 1.0102, 1.10725 elapsed time for k point: 0.0732278823852539 solve_kpoint (0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.468255756300297 (0.622033% change) linmin: converged after 5 iterations. iteration 2: trace = 5.443223812749509 (0.458819% change) linmin: converged after 4 iterations. iteration 3: trace = 5.431408622421309 (0.217298% change) linmin: converged after 4 iterations. iteration 4: trace = 5.424242356553076 (0.132028% change) linmin: converged after 5 iterations. iteration 5: trace = 5.419937630971117 (0.0793924% change) linmin: converged after 4 iterations. iteration 6: trace = 5.418538990855433 (0.0258088% change) linmin: converged after 4 iterations. iteration 7: trace = 5.417857723333922 (0.0125737% change) linmin: converged after 3 iterations. iteration 8: trace = 5.417473338575125 (0.00709503% change) linmin: converged after 3 iterations. iteration 9: trace = 5.417269129397949 (0.00376953% change) linmin: converged after 4 iterations. iteration 10: trace = 5.41714555781147 (0.00228109% change) linmin: converged after 3 iterations. iteration 11: trace = 5.417106189895422 (0.000726731% change) linmin: converged after 3 iterations. iteration 12: trace = 5.417094578169102 (0.000214353% change) linmin: converged after 3 iterations. iteration 13: trace = 5.417090464907004 (7.59312e-05% change) linmin: converged after 3 iterations. iteration 14: trace = 5.417089421745808 (1.92569e-05% change) linmin: converged after 7 iterations. iteration 15: trace = 5.417088991729026 (7.93815e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.417088858207652 (2.46482e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.417088812132396 (8.50554e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.417088788744948 (4.31735e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.417088776389877 (2.28076e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 5.417088770680252 (1.054e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 5.417088768321159 (4.35491e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 5.417088767370201 (1.75548e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 5.417088766928408 (8.15553e-09% change) linmin: converged after 12 iterations. iteration 24: trace = 5.417088766681358 (4.56057e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.417088766554599 (2.33998e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 5.417088766462992 (1.69107e-09% change) linmin: converged after 5 iterations. iteration 27: trace = 5.417088766423705 (7.25255e-10% change) linmin: converged after 2 iterations. iteration 28: trace = 5.417088766412561 (2.05719e-10% change) linmin: converged after 6 iterations. iteration 29: trace = 5.417088766409226 (6.15665e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 14, 0.2, 0.2, 0, 0.282843, 0.252088, 0.542887, 0.698081, 0.789371, 0.888483, 0.897858, 1.07884, 1.09039 elapsed time for k point: 0.10314512252807617 solve_kpoint (0.1,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.600203178995311 (1.22609% change) linmin: converged after 5 iterations. iteration 2: trace = 5.549498902382186 (0.909518% change) linmin: converged after 5 iterations. iteration 3: trace = 5.534363640710798 (0.273104% change) linmin: converged after 4 iterations. iteration 4: trace = 5.527272903157751 (0.128204% change) linmin: converged after 4 iterations. iteration 5: trace = 5.524129966091428 (0.0568785% change) linmin: converged after 3 iterations. iteration 6: trace = 5.52324406186046 (0.0160383% change) linmin: converged after 3 iterations. iteration 7: trace = 5.522921055216095 (0.0058483% change) linmin: converged after 3 iterations. iteration 8: trace = 5.522756882379626 (0.00297262% change) linmin: converged after 4 iterations. iteration 9: trace = 5.522649699667799 (0.00194077% change) linmin: converged after 3 iterations. iteration 10: trace = 5.522540696465946 (0.00197377% change) linmin: converged after 3 iterations. iteration 11: trace = 5.522446530191273 (0.00170514% change) linmin: converged after 6 iterations. iteration 12: trace = 5.52235836692082 (0.00159647% change) linmin: converged after 5 iterations. iteration 13: trace = 5.522300787118438 (0.00104267% change) linmin: converged after 3 iterations. iteration 14: trace = 5.522279640461873 (0.000382933% change) linmin: converged after 3 iterations. iteration 15: trace = 5.522271218168396 (0.000152515% change) linmin: converged after 4 iterations. iteration 16: trace = 5.522268619550545 (4.70571e-05% change) linmin: converged after 4 iterations. iteration 17: trace = 5.522267958292776 (1.19744e-05% change) linmin: converged after 2 iterations. iteration 18: trace = 5.522267758808986 (3.61235e-06% change) linmin: converged after 26 iterations. iteration 19: trace = 5.522267691563958 (1.21771e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 5.522267667644735 (4.33141e-07% change) linmin: converged after 9 iterations. iteration 21: trace = 5.522267656938331 (1.93877e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 5.522267653032546 (7.07279e-08% change) linmin: converged after 5 iterations. iteration 23: trace = 5.522267650435389 (4.70306e-08% change) linmin: converged after 15 iterations. iteration 24: trace = 5.522267648929529 (2.72689e-08% change) linmin: converged after 14 iterations. iteration 25: trace = 5.522267648122501 (1.46141e-08% change) linmin: converged after 9 iterations. iteration 26: trace = 5.522267647458117 (1.2031e-08% change) linmin: converged after 13 iterations. iteration 27: trace = 5.522267646822611 (1.15081e-08% change) linmin: converged after 9 iterations. iteration 28: trace = 5.522267646290404 (9.63748e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 5.522267645965355 (5.88614e-09% change) linmin: converged after 6 iterations. iteration 30: trace = 5.522267645803392 (2.93291e-09% change) linmin: converged after 13 iterations. iteration 31: trace = 5.522267645716786 (1.56831e-09% change) linmin: converged after 10 iterations. iteration 32: trace = 5.522267645679249 (6.7974e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 5.5222676456676 (2.10952e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 5.522267645664736 (5.18535e-11% change) Finished solving for bands 1 to 8 after 34 iterations. tefreqs:, 15, 0.1, 0.1, 0, 0.141421, 0.126841, 0.549908, 0.750378, 0.777261, 0.903059, 0.961984, 1.04191, 1.10004 elapsed time for k point: 0.11810898780822754 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 5 iterations. iteration 1: trace = 5.623415343691101 (0.88056% change) linmin: converged after 5 iterations. iteration 2: trace = 5.591482468802228 (0.569472% change) linmin: converged after 5 iterations. iteration 3: trace = 5.58095164094521 (0.188514% change) linmin: converged after 5 iterations. iteration 4: trace = 5.575083172748464 (0.105207% change) linmin: converged after 5 iterations. iteration 5: trace = 5.571618736265576 (0.0621607% change) linmin: converged after 4 iterations. iteration 6: trace = 5.570324107769147 (0.0232388% change) linmin: converged after 4 iterations. iteration 7: trace = 5.569686885898596 (0.0114402% change) linmin: converged after 4 iterations. iteration 8: trace = 5.56946065641996 (0.00406188% change) linmin: converged after 4 iterations. iteration 9: trace = 5.569345938950607 (0.00205978% change) linmin: converged after 4 iterations. iteration 10: trace = 5.569289951401199 (0.00100529% change) linmin: converged after 3 iterations. iteration 11: trace = 5.569256880778933 (0.000593805% change) linmin: converged after 5 iterations. iteration 12: trace = 5.569207664431419 (0.000883719% change) linmin: converged after 3 iterations. iteration 13: trace = 5.569133502533722 (0.00133165% change) large trace change predicted (0.00839774%) linmin: converged after 6 iterations. iteration 14: trace = 5.568684283169137 (0.00806656% change) near maximum in trace linmin: converged after 8 iterations. iteration 15: trace = 5.566399673571812 (0.0410344% change) linmin: converged after 5 iterations. iteration 16: trace = 5.565541202156408 (0.0154236% change) linmin: converged after 5 iterations. iteration 17: trace = 5.564709389444946 (0.0149469% change) linmin: converged after 5 iterations. iteration 18: trace = 5.563783785538985 (0.0166348% change) linmin: converged after 5 iterations. iteration 19: trace = 5.562668009218461 (0.0200563% change) linmin: converged after 5 iterations. iteration 20: trace = 5.561318638169371 (0.0242606% change) linmin: converged after 5 iterations. iteration 21: trace = 5.559813631604856 (0.0270657% change) linmin: converged after 5 iterations. iteration 22: trace = 5.558314619082214 (0.0269652% change) linmin: converged after 12 iterations. iteration 23: trace = 5.55696024545343 (0.0243696% change) linmin: converged after 6 iterations. iteration 24: trace = 5.555789587385524 (0.0210687% change) linmin: converged after 16 iterations. iteration 25: trace = 5.554798721782022 (0.0178364% change) linmin: converged after 4 iterations. iteration 26: trace = 5.553994114886711 (0.0144859% change) linmin: converged after 4 iterations. iteration 27: trace = 5.55337603656394 (0.0111292% change) linmin: converged after 4 iterations. iteration 28: trace = 5.552913677508551 (0.00832608% change) linmin: converged after 4 iterations. iteration 29: trace = 5.55255583873694 (0.00644437% change) linmin: converged after 4 iterations. iteration 30: trace = 5.552254970532592 (0.0054187% change) linmin: converged after 4 iterations. iteration 31: trace = 5.551980061434909 (0.00495143% change) linmin: converged after 4 iterations. iteration 32: trace = 5.551718957430488 (0.00470301% change) linmin: converged after 4 iterations. iteration 33: trace = 5.551473590886615 (0.00441975% change) linmin: converged after 4 iterations. iteration 34: trace = 5.551249527211484 (0.00403619% change) linmin: converged after 4 iterations. iteration 35: trace = 5.551047677818786 (0.00363617% change) linmin: converged after 3 iterations. iteration 36: trace = 5.55086432557669 (0.00330308% change) linmin: converged after 4 iterations. iteration 37: trace = 5.550695189460662 (0.00304707% change) linmin: converged after 4 iterations. iteration 38: trace = 5.550537718322757 (0.002837% change) linmin: converged after 3 iterations. iteration 39: trace = 5.550390745378974 (0.00264794% change) linmin: converged after 3 iterations. iteration 40: trace = 5.550253430921961 (0.00247399% change) linmin: converged after 7 iterations. iteration 41: trace = 5.550124903882509 (0.00231572% change) linmin: converged after 3 iterations. iteration 42: trace = 5.550004422979574 (0.0021708% change) linmin: converged after 3 iterations. iteration 43: trace = 5.549891462758519 (0.00203534% change) linmin: converged after 3 iterations. iteration 44: trace = 5.54978575774374 (0.00190465% change) linmin: converged after 3 iterations. iteration 45: trace = 5.549687478311515 (0.00177088% change) linmin: converged after 3 iterations. iteration 46: trace = 5.549597232227999 (0.00162616% change) linmin: converged after 3 iterations. iteration 47: trace = 5.549515438629776 (0.00147388% change) linmin: converged after 3 iterations. iteration 48: trace = 5.549441431569842 (0.00133359% change) linmin: converged after 3 iterations. iteration 49: trace = 5.549373301151855 (0.00122771% change) linmin: converged after 3 iterations. iteration 50: trace = 5.549308832485513 (0.00116174% change) linmin: converged after 3 iterations. iteration 51: trace = 5.549246790185274 (0.00111802% change) linmin: converged after 3 iterations. iteration 52: trace = 5.549187393589712 (0.00107036% change) linmin: converged after 3 iterations. iteration 53: trace = 5.549131425123482 (0.00100859% change) linmin: converged after 3 iterations. iteration 54: trace = 5.549078954749279 (0.000945565% change) linmin: converged after 3 iterations. iteration 55: trace = 5.549029215008254 (0.000896364% change) linmin: converged after 3 iterations. iteration 56: trace = 5.548981603998273 (0.00085801% change) linmin: converged after 3 iterations. iteration 57: trace = 5.548936442007346 (0.000813882% change) linmin: converged after 3 iterations. iteration 58: trace = 5.548894439021208 (0.000756958% change) linmin: converged after 3 iterations. iteration 59: trace = 5.548855472835694 (0.000702236% change) linmin: converged after 3 iterations. iteration 60: trace = 5.548818214793042 (0.000671457% change) linmin: converged after 3 iterations. iteration 61: trace = 5.548780940943994 (0.000671746% change) linmin: converged after 3 iterations. iteration 62: trace = 5.548742719557429 (0.000688827% change) linmin: converged after 3 iterations. iteration 63: trace = 5.548704070514274 (0.000696539% change) linmin: converged after 3 iterations. iteration 64: trace = 5.548666460946193 (0.00067781% change) linmin: converged after 3 iterations. iteration 65: trace = 5.548631158284956 (0.000636239% change) linmin: converged after 3 iterations. iteration 66: trace = 5.548598783181054 (0.000583481% change) linmin: converged after 3 iterations. iteration 67: trace = 5.54856972418999 (0.000523719% change) linmin: converged after 3 iterations. iteration 68: trace = 5.548544403643044 (0.000456345% change) linmin: converged after 3 iterations. iteration 69: trace = 5.548522919968383 (0.000387196% change) resetting CG direction... large trace change predicted (0.00347725%) linmin: converged after 5 iterations. iteration 70: trace = 5.548329976875334 (0.00347744% change) linmin: converged after 8 iterations. iteration 71: trace = 5.548232222627282 (0.00176188% change) linmin: converged after 4 iterations. iteration 72: trace = 5.548180081127551 (0.00093979% change) linmin: converged after 4 iterations. iteration 73: trace = 5.548158373809741 (0.000391252% change) linmin: converged after 4 iterations. iteration 74: trace = 5.548148375786459 (0.000180205% change) linmin: converged after 3 iterations. iteration 75: trace = 5.548144673483061 (6.67305e-05% change) linmin: converged after 3 iterations. iteration 76: trace = 5.548141864900142 (5.0622e-05% change) linmin: converged after 3 iterations. iteration 77: trace = 5.548138837053142 (5.45741e-05% change) linmin: converged after 3 iterations. iteration 78: trace = 5.54813458943767 (7.65593e-05% change) linmin: converged after 5 iterations. iteration 79: trace = 5.548128746388062 (0.000105316% change) linmin: converged after 4 iterations. iteration 80: trace = 5.548123649325782 (9.187e-05% change) linmin: converged after 4 iterations. iteration 81: trace = 5.548120939118171 (4.88491e-05% change) linmin: converged after 4 iterations. iteration 82: trace = 5.54811900980392 (3.47742e-05% change) linmin: converged after 3 iterations. iteration 83: trace = 5.548118262534684 (1.34689e-05% change) linmin: converged after 3 iterations. iteration 84: trace = 5.548117907882173 (6.3923e-06% change) linmin: converged after 2 iterations. iteration 85: trace = 5.548117802015909 (1.90815e-06% change) linmin: converged after 2 iterations. iteration 86: trace = 5.548117741686906 (1.08738e-06% change) linmin: converged after 9 iterations. iteration 87: trace = 5.548117729428178 (2.20953e-07% change) linmin: converged after 2 iterations. iteration 88: trace = 5.54811772641559 (5.42993e-08% change) linmin: converged after 2 iterations. iteration 89: trace = 5.548117725588869 (1.49009e-08% change) linmin: converged after 3 iterations. iteration 90: trace = 5.548117725372832 (3.89388e-09% change) linmin: converged after 3 iterations. iteration 91: trace = 5.548117725334812 (6.85266e-10% change) linmin: converged after 3 iterations. iteration 92: trace = 5.548117725327049 (1.39916e-10% change) linmin: converged after 8 iterations. iteration 93: trace = 5.548117725324972 (3.74442e-11% change) Finished solving for bands 2 to 8 after 93 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.552709, 0.773227, 0.77323, 0.922997, 1.00017, 1.00017, 1.09282 elapsed time for k point: 0.29550886154174805 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4968358647448986 at Vector3<0.5, 0.5, 0.0> Band 2 range: 0.4415884497225444 at Vector3<0.5, 0.0, 0.0> to 0.5931405141160886 at Vector3<0.5, 0.5, 0.0> Band 3 range: 0.5931535863117833 at Vector3<0.5, 0.5, 0.0> to 0.7732265593069766 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6791690130757021 at Vector3<0.5, 0.5, 0.0> to 0.8096891551677099 at Vector3<0.3, 0.3, 0.0> Band 5 range: 0.8241814443502156 at Vector3<0.5, 0.30000000000000004, 0.0> to 0.922996519585588 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.881977091666069 at Vector3<0.5, 0.5, 0.0> to 1.0291597050650207 at Vector3<0.5, 0.0, 0.0> Band 7 range: 0.8819818134421863 at Vector3<0.5, 0.5, 0.0> to 1.086072932359417 at Vector3<0.5, 0.0, 0.0> Band 8 range: 1.0878689635052696 at Vector3<0.5, 0.0, 0.0> to 1.1119173707556913 at Vector3<0.5, 0.5, 0.0> Gap from band 2 (0.5931405141160886) to band 3 (0.5931535863117833), 0.002203870977689372% Gap from band 4 (0.8096891551677099) to band 5 (0.8241814443502156), 1.7739824912427737% Gap from band 7 (1.086072932359417) to band 8 (1.0878689635052696), 0.1652326724342669% total elapsed time for run: 2.132143974304199 done epsilon: 1-12, mean 2.38229, harm. mean 1.1448, 14.5508% > 1, 12.5663% "fill" .Outputting /tmp/meepakjAzV/test_subpixel_averaging-0-epsilon.h5... /tmp/meepakjAzV/test_subpixel_averaging-0: 2.16s /tmp/meepakjAzV/test_symmetry_overlap-0 ======================== Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: . Initializing fields to random numbers... 1 k-points Vector3<0.5, 0.5, 0.5> elapsed time for initialization: 0.06462264060974121 solve_kpoint (0.5,0.5,0.5): freqs:, k index, k1, k2, k3, kmag/2pi, band 1, band 2, band 3, band 4, band 5, band 6 Solving for bands 1 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 15.74018598579249 (195.749% change) linmin: converged after 9 iterations. iteration 2: trace = 3.090147276233731 (134.358% change) linmin: converged after 6 iterations. iteration 3: trace = 2.39752372069761 (25.2429% change) linmin: converged after 5 iterations. iteration 4: trace = 2.145761074543341 (11.0828% change) linmin: converged after 5 iterations. iteration 5: trace = 2.068316051370429 (3.67554% change) linmin: converged after 5 iterations. iteration 6: trace = 2.048480958527572 (0.963618% change) linmin: converged after 4 iterations. iteration 7: trace = 2.043452743659615 (0.245762% change) linmin: converged after 4 iterations. iteration 8: trace = 2.041240675658027 (0.10831% change) linmin: converged after 4 iterations. iteration 9: trace = 2.040708177321921 (0.0260904% change) linmin: converged after 4 iterations. iteration 10: trace = 2.040466618259406 (0.0118377% change) linmin: converged after 4 iterations. iteration 11: trace = 2.040385065982352 (0.00399683% change) linmin: converged after 5 iterations. iteration 12: trace = 2.040354111287643 (0.00151711% change) linmin: converged after 5 iterations. iteration 13: trace = 2.040341169825954 (0.000634277% change) linmin: converged after 4 iterations. iteration 14: trace = 2.040337077970569 (0.000200548% change) linmin: converged after 4 iterations. iteration 15: trace = 2.040336153622575 (4.53037e-05% change) linmin: converged after 4 iterations. iteration 16: trace = 2.040335806340879 (1.70208e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 2.040335710845959 (4.68035e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 2.040335672642774 (1.8724e-06% change) linmin: converged after 22 iterations. iteration 19: trace = 2.040335654413402 (8.9345e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 2.040335648243747 (3.02384e-07% change) linmin: converged after 18 iterations. iteration 21: trace = 2.040335646291806 (9.56677e-08% change) linmin: converged after 7 iterations. iteration 22: trace = 2.04033564561653 (3.30963e-08% change) linmin: converged after 21 iterations. iteration 23: trace = 2.040335645457566 (7.79107e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 2.040335645416252 (2.02487e-09% change) linmin: converged after 2 iterations. iteration 25: trace = 2.040335645404155 (5.92892e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 2.040335645401636 (1.23432e-10% change) linmin: converged after 5 iterations. iteration 27: trace = 2.04033564540094 (3.41501e-11% change) Finished solving for bands 1 to 6 after 27 iterations. freqs:, 1, 0.5, 0.5, 0.5, 0.866025, 0.52682, 0.526822, 0.526826, 0.634476, 0.634484, 0.634491 elapsed time for k point: 5.075688123703003 total elapsed time for run: 5.140403509140015 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zeven. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.04636240005493164 solve_kpoint (0,0,0): zevenfreqs:, k index, k1, k2, k3, kmag/2pi, zeven band 1, zeven band 2, zeven band 3, zeven band 4, zeven band 5, zeven band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.95589239481535 (193.84% change) linmin: converged after 12 iterations. iteration 2: trace = 4.039421326965928 (129.735% change) linmin: converged after 5 iterations. iteration 3: trace = 3.237031641771015 (22.0544% change) linmin: converged after 5 iterations. iteration 4: trace = 2.981724017015089 (8.21089% change) linmin: converged after 5 iterations. iteration 5: trace = 2.778779921662612 (7.04605% change) linmin: converged after 6 iterations. iteration 6: trace = 2.649264413471264 (4.77209% change) linmin: converged after 6 iterations. iteration 7: trace = 2.552598023165624 (3.71661% change) linmin: converged after 6 iterations. iteration 8: trace = 2.49999224211558 (2.08233% change) linmin: converged after 5 iterations. iteration 9: trace = 2.481050506315754 (0.760553% change) linmin: converged after 4 iterations. iteration 10: trace = 2.47318361058262 (0.317583% change) linmin: converged after 3 iterations. iteration 11: trace = 2.470951871990917 (0.0902782% change) linmin: converged after 3 iterations. iteration 12: trace = 2.470390583895061 (0.022718% change) linmin: converged after 4 iterations. iteration 13: trace = 2.470176090620012 (0.00868294% change) linmin: converged after 3 iterations. iteration 14: trace = 2.470105989373048 (0.00283795% change) linmin: converged after 3 iterations. iteration 15: trace = 2.470088975297651 (0.000688802% change) linmin: converged after 3 iterations. iteration 16: trace = 2.470086848276996 (8.61111e-05% change) linmin: converged after 5 iterations. iteration 17: trace = 2.470086726387079 (4.93464e-06% change) linmin: converged after 6 iterations. iteration 18: trace = 2.470086678531701 (1.9374e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.470086646747166 (1.28678e-06% change) linmin: converged after 5 iterations. iteration 20: trace = 2.470086621328261 (1.02907e-06% change) linmin: converged after 4 iterations. iteration 21: trace = 2.470086599230554 (8.94613e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.470086579159212 (8.12576e-07% change) linmin: converged after 5 iterations. iteration 23: trace = 2.470086560435126 (7.58034e-07% change) linmin: converged after 3 iterations. iteration 24: trace = 2.470086542626187 (7.20984e-07% change) linmin: converged after 4 iterations. iteration 25: trace = 2.470086525398639 (6.97447e-07% change) linmin: converged after 5 iterations. iteration 26: trace = 2.470086508443814 (6.86406e-07% change) linmin: converged after 5 iterations. iteration 27: trace = 2.470086491432141 (6.88708e-07% change) linmin: converged after 4 iterations. iteration 28: trace = 2.470086473971004 (7.06904e-07% change) linmin: converged after 4 iterations. iteration 29: trace = 2.470086455551509 (7.45702e-07% change) linmin: converged after 6 iterations. iteration 30: trace = 2.470086435461984 (8.13313e-07% change) linmin: converged after 3 iterations. iteration 31: trace = 2.470086412632964 (9.24219e-07% change) linmin: converged after 4 iterations. iteration 32: trace = 2.470086385334096 (1.10518e-06% change) linmin: converged after 5 iterations. iteration 33: trace = 2.470086350578639 (1.40705e-06% change) linmin: converged after 7 iterations. iteration 34: trace = 2.470086303711495 (1.89739e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 2.470086256803584 (1.89904e-06% change) linmin: converged after 4 iterations. iteration 36: trace = 2.470086237769362 (7.70589e-07% change) linmin: converged after 5 iterations. iteration 37: trace = 2.470086227711381 (4.07191e-07% change) linmin: converged after 3 iterations. iteration 38: trace = 2.470086220769965 (2.81019e-07% change) linmin: converged after 5 iterations. iteration 39: trace = 2.470086215312805 (2.2093e-07% change) linmin: converged after 4 iterations. iteration 40: trace = 2.470086210703905 (1.86589e-07% change) linmin: converged after 3 iterations. iteration 41: trace = 2.470086206637606 (1.64622e-07% change) linmin: converged after 5 iterations. iteration 42: trace = 2.470086202945012 (1.49493e-07% change) linmin: converged after 7 iterations. iteration 43: trace = 2.470086199523804 (1.38506e-07% change) linmin: converged after 4 iterations. iteration 44: trace = 2.470086196306484 (1.30251e-07% change) linmin: converged after 5 iterations. iteration 45: trace = 2.470086193246972 (1.23863e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 2.470086190311444 (1.18843e-07% change) linmin: converged after 5 iterations. iteration 47: trace = 2.470086187474318 (1.14859e-07% change) linmin: converged after 4 iterations. iteration 48: trace = 2.470086184715327 (1.11696e-07% change) linmin: converged after 5 iterations. iteration 49: trace = 2.470086182017742 (1.0921e-07% change) linmin: converged after 5 iterations. iteration 50: trace = 2.470086179367615 (1.07289e-07% change) linmin: converged after 4 iterations. iteration 51: trace = 2.470086176752181 (1.05884e-07% change) linmin: converged after 6 iterations. iteration 52: trace = 2.470086174160263 (1.04932e-07% change) linmin: converged after 4 iterations. iteration 53: trace = 2.470086171580709 (1.04432e-07% change) linmin: converged after 9 iterations. iteration 54: trace = 2.47008616900312 (1.04352e-07% change) linmin: converged after 6 iterations. iteration 55: trace = 2.470086166416444 (1.0472e-07% change) linmin: converged after 5 iterations. iteration 56: trace = 2.470086163809907 (1.05524e-07% change) linmin: converged after 8 iterations. iteration 57: trace = 2.470086161171471 (1.06816e-07% change) linmin: converged after 6 iterations. iteration 58: trace = 2.470086158488062 (1.08636e-07% change) linmin: converged after 6 iterations. iteration 59: trace = 2.470086155745094 (1.11047e-07% change) linmin: converged after 4 iterations. iteration 60: trace = 2.470086152925734 (1.1414e-07% change) linmin: converged after 5 iterations. iteration 61: trace = 2.470086150010395 (1.18026e-07% change) linmin: converged after 5 iterations. iteration 62: trace = 2.470086146975367 (1.22871e-07% change) linmin: converged after 5 iterations. iteration 63: trace = 2.470086143791794 (1.28885e-07% change) linmin: converged after 6 iterations. iteration 64: trace = 2.47008614042227 (1.36413e-07% change) linmin: converged after 4 iterations. iteration 65: trace = 2.470086136818356 (1.45902e-07% change) linmin: converged after 5 iterations. iteration 66: trace = 2.47008613291373 (1.58077e-07% change) linmin: converged after 5 iterations. iteration 67: trace = 2.470086128613541 (1.74091e-07% change) linmin: converged after 4 iterations. iteration 68: trace = 2.470086123774848 (1.95892e-07% change) linmin: converged after 7 iterations. iteration 69: trace = 2.470086118170149 (2.26903e-07% change) resetting CG direction... large trace change predicted (5.08616e-06%) linmin: converged after 4 iterations. iteration 70: trace = 2.470085992402971 (5.09161e-06% change) linmin: converged after 4 iterations. iteration 71: trace = 2.470085917449075 (3.03447e-06% change) linmin: converged after 4 iterations. iteration 72: trace = 2.470085857051819 (2.44515e-06% change) linmin: converged after 10 iterations. iteration 73: trace = 2.470085794434165 (2.53504e-06% change) linmin: converged after 5 iterations. iteration 74: trace = 2.470085684656471 (4.44429e-06% change) linmin: converged after 4 iterations. iteration 75: trace = 2.470085666272392 (7.44269e-07% change) linmin: converged after 5 iterations. iteration 76: trace = 2.470085659657276 (2.67809e-07% change) linmin: converged after 2 iterations. iteration 77: trace = 2.470085656852766 (1.13539e-07% change) linmin: converged after 6 iterations. iteration 78: trace = 2.470085655579518 (5.15467e-08% change) linmin: converged after 15 iterations. iteration 79: trace = 2.470085654980333 (2.42576e-08% change) linmin: converged after 6 iterations. iteration 80: trace = 2.470085654692695 (1.16449e-08% change) linmin: converged after 6 iterations. iteration 81: trace = 2.47008565455298 (5.65628e-09% change) linmin: converged after 4 iterations. iteration 82: trace = 2.47008565448481 (2.75986e-09% change) linmin: converged after 4 iterations. iteration 83: trace = 2.470085654451496 (1.34869e-09% change) linmin: converged after 4 iterations. iteration 84: trace = 2.470085654435226 (6.58668e-10% change) linmin: converged after 3 iterations. iteration 85: trace = 2.470085654427465 (3.14196e-10% change) linmin: converged after 16 iterations. iteration 86: trace = 2.470085654423682 (1.53178e-10% change) linmin: converged after 6 iterations. iteration 87: trace = 2.470085654421875 (7.31194e-11% change) Finished solving for bands 2 to 6 after 87 iterations. zevenfreqs:, 1, 0, 0, 0, 0, 0, 0.54855, 0.707218, 0.707226, 0.764464, 0.764492 elapsed time for k point: 13.043042182922363 total elapsed time for run: 13.089510917663574 done Initializing eigensolver data Computing 6 bands with 1e-12 tolerance Working in 3 dimensions. Grid size is 32 x 32 x 32. Solving for 6 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (1, 0, 0) (0, 1, 0) (0, 0, 1) Cell volume = 1 Reciprocal lattice vectors (/ 2 pi): (1, -0, 0) (-0, 1, -0) (0, -0, 1) Geometric objects: sphere, center = (0,0,0) radius 0.25 Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: zodd. Initializing fields to random numbers... 1 k-points Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0807039737701416 solve_kpoint (0,0,0): zoddfreqs:, k index, k1, k2, k3, kmag/2pi, zodd band 1, zodd band 2, zodd band 3, zodd band 4, zodd band 5, zodd band 6 Solving for bands 2 to 6... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 18.02221847556454 (194.149% change) linmin: converged after 11 iterations. iteration 2: trace = 3.363324203114509 (137.092% change) linmin: converged after 5 iterations. iteration 3: trace = 2.753285428763914 (19.947% change) linmin: converged after 5 iterations. iteration 4: trace = 2.542376250784823 (7.96536% change) linmin: converged after 5 iterations. iteration 5: trace = 2.460265280306889 (3.2827% change) linmin: converged after 6 iterations. iteration 6: trace = 2.396838326976499 (2.61172% change) linmin: converged after 5 iterations. iteration 7: trace = 2.342633507615586 (2.28738% change) linmin: converged after 7 iterations. iteration 8: trace = 2.313897281250125 (1.23423% change) linmin: converged after 6 iterations. iteration 9: trace = 2.300812929616366 (0.567071% change) linmin: converged after 4 iterations. iteration 10: trace = 2.296327307690695 (0.195148% change) linmin: converged after 3 iterations. iteration 11: trace = 2.294758109433266 (0.0683585% change) linmin: converged after 4 iterations. iteration 12: trace = 2.294135222393112 (0.0271476% change) linmin: converged after 4 iterations. iteration 13: trace = 2.293938668030191 (0.00856806% change) linmin: converged after 4 iterations. iteration 14: trace = 2.293826788588857 (0.0048773% change) linmin: converged after 4 iterations. iteration 15: trace = 2.293758588338953 (0.00297325% change) linmin: converged after 5 iterations. iteration 16: trace = 2.29369419440961 (0.00280739% change) linmin: converged after 7 iterations. iteration 17: trace = 2.293618199025774 (0.00331329% change) linmin: converged after 7 iterations. iteration 18: trace = 2.293528069881335 (0.00392964% change) linmin: converged after 4 iterations. iteration 19: trace = 2.293451007226641 (0.00336006% change) linmin: converged after 8 iterations. iteration 20: trace = 2.293406432494042 (0.00194358% change) linmin: converged after 5 iterations. iteration 21: trace = 2.293384561775683 (0.000953639% change) linmin: converged after 5 iterations. iteration 22: trace = 2.293373743494189 (0.000471718% change) linmin: converged after 4 iterations. iteration 23: trace = 2.293370474414736 (0.000142545% change) linmin: converged after 5 iterations. iteration 24: trace = 2.293369520043941 (4.16143e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 2.293369112326042 (1.77781e-05% change) linmin: converged after 2 iterations. iteration 26: trace = 2.293368934281367 (7.76346e-06% change) linmin: converged after 2 iterations. iteration 27: trace = 2.293368844736433 (3.90452e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 2.293368821069992 (1.03195e-06% change) linmin: converged after 4 iterations. iteration 29: trace = 2.293368820578205 (2.14439e-08% change) linmin: converged after 15 iterations. iteration 30: trace = 2.293368820560684 (7.63951e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.293368820559674 (4.40532e-11% change) Finished solving for bands 2 to 6 after 31 iterations. zoddfreqs:, 1, 0, 0, 0, 0, 0, 0.548559, 0.548564, 0.707153, 0.764183, 0.779416 .elapsed time for k point: 6.52918815612793 total elapsed time for run: 6.610013246536255 done /tmp/meepakjAzV/test_symmetry_overlap-0: 25.43s /tmp/meepakjAzV/test_tri_holes-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.00612950325012207 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 13.34289714972894 (194.943% change) linmin: converged after 7 iterations. iteration 2: trace = 5.883288708168695 (77.5984% change) linmin: converged after 5 iterations. iteration 3: trace = 5.044755956652265 (15.3464% change) linmin: converged after 5 iterations. iteration 4: trace = 4.759186801709515 (5.8256% change) linmin: converged after 5 iterations. iteration 5: trace = 4.648502384223162 (2.35306% change) linmin: converged after 5 iterations. iteration 6: trace = 4.573735188935832 (1.62145% change) linmin: converged after 8 iterations. iteration 7: trace = 4.52509608637615 (1.06913% change) linmin: converged after 5 iterations. iteration 8: trace = 4.490878663187865 (0.75904% change) linmin: converged after 6 iterations. iteration 9: trace = 4.471972673158225 (0.421874% change) linmin: converged after 4 iterations. iteration 10: trace = 4.463100096502826 (0.198601% change) linmin: converged after 5 iterations. iteration 11: trace = 4.457774835855648 (0.119389% change) linmin: converged after 4 iterations. iteration 12: trace = 4.455553733636293 (0.0498378% change) linmin: converged after 4 iterations. iteration 13: trace = 4.454264949858793 (0.0289295% change) linmin: converged after 4 iterations. iteration 14: trace = 4.453628568036768 (0.014288% change) linmin: converged after 4 iterations. iteration 15: trace = 4.453292324411062 (0.00755017% change) linmin: converged after 4 iterations. iteration 16: trace = 4.453169254637682 (0.00276361% change) linmin: converged after 4 iterations. iteration 17: trace = 4.453124198333839 (0.00101179% change) linmin: converged after 5 iterations. iteration 18: trace = 4.453097708544561 (0.00059486% change) linmin: converged after 5 iterations. iteration 19: trace = 4.453064686036361 (0.000741565% change) large trace change predicted (0.00167871%) linmin: converged after 5 iterations. iteration 20: trace = 4.45298990841828 (0.00167925% change) large trace change predicted (0.00355348%) linmin: converged after 5 iterations. iteration 21: trace = 4.452831698844816 (0.00355295% change) linmin: converged after 5 iterations. iteration 22: trace = 4.452615931157147 (0.00484575% change) linmin: converged after 5 iterations. iteration 23: trace = 4.452445091453559 (0.00383691% change) linmin: converged after 5 iterations. iteration 24: trace = 4.452296186462407 (0.0033444% change) linmin: converged after 4 iterations. iteration 25: trace = 4.452144807934144 (0.00340007% change) linmin: converged after 4 iterations. iteration 26: trace = 4.45202801093897 (0.00262342% change) linmin: converged after 4 iterations. iteration 27: trace = 4.451974702503797 (0.0011974% change) linmin: converged after 4 iterations. iteration 28: trace = 4.451958340675563 (0.000367519% change) linmin: converged after 4 iterations. iteration 29: trace = 4.451953421809165 (0.000110488% change) linmin: converged after 5 iterations. iteration 30: trace = 4.451951355107926 (4.64224e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.451950388858642 (2.1704e-05% change) linmin: converged after 5 iterations. iteration 32: trace = 4.451949935124777 (1.01918e-05% change) linmin: converged after 4 iterations. iteration 33: trace = 4.451949721654937 (4.79497e-06% change) linmin: converged after 2 iterations. iteration 34: trace = 4.451949638042385 (1.87811e-06% change) linmin: converged after 6 iterations. iteration 35: trace = 4.451949603090662 (7.85088e-07% change) linmin: converged after 10 iterations. iteration 36: trace = 4.451949587124878 (3.58625e-07% change) linmin: converged after 6 iterations. iteration 37: trace = 4.451949578414573 (1.95651e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 4.451949573497659 (1.10444e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 4.451949570787107 (6.08846e-08% change) linmin: converged after 2 iterations. iteration 40: trace = 4.451949569043551 (3.91639e-08% change) linmin: converged after 4 iterations. iteration 41: trace = 4.451949566780466 (5.08336e-08% change) linmin: converged after 4 iterations. iteration 42: trace = 4.451949562367793 (9.91178e-08% change) large trace change predicted (2.08746e-07%) linmin: converged after 2 iterations. iteration 43: trace = 4.451949553074521 (2.08746e-07% change) linmin: converged after 2 iterations. iteration 44: trace = 4.451949540843078 (2.74744e-07% change) linmin: converged after 2 iterations. iteration 45: trace = 4.451949529999953 (2.43559e-07% change) linmin: converged after 2 iterations. iteration 46: trace = 4.451949523238304 (1.51881e-07% change) linmin: converged after 2 iterations. iteration 47: trace = 4.451949519159151 (9.16262e-08% change) linmin: converged after 4 iterations. iteration 48: trace = 4.451949516240864 (6.55508e-08% change) linmin: converged after 5 iterations. iteration 49: trace = 4.451949514432178 (4.06268e-08% change) linmin: converged after 3 iterations. iteration 50: trace = 4.451949513681809 (1.68548e-08% change) linmin: converged after 5 iterations. iteration 51: trace = 4.451949513453071 (5.13793e-09% change) linmin: converged after 12 iterations. iteration 52: trace = 4.451949513392949 (1.35046e-09% change) linmin: converged after 3 iterations. iteration 53: trace = 4.451949513373067 (4.46608e-10% change) linmin: converged after 4 iterations. iteration 54: trace = 4.451949513363684 (2.10755e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 4.451949513358428 (1.18066e-10% change) linmin: converged after 4 iterations. iteration 56: trace = 4.451949513355888 (5.7038e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.28122925758361816 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.47594446708455 (0.531645% change) linmin: converged after 4 iterations. iteration 2: trace = 4.470049557564652 (0.131789% change) linmin: converged after 3 iterations. iteration 3: trace = 4.468237947747928 (0.0405359% change) linmin: converged after 3 iterations. iteration 4: trace = 4.467329142575571 (0.0203413% change) linmin: converged after 4 iterations. iteration 5: trace = 4.466696419379508 (0.0141643% change) linmin: converged after 4 iterations. iteration 6: trace = 4.466267349480991 (0.00960644% change) linmin: converged after 4 iterations. iteration 7: trace = 4.465882291995668 (0.00862183% change) linmin: converged after 4 iterations. iteration 8: trace = 4.465603095551343 (0.00625196% change) linmin: converged after 3 iterations. iteration 9: trace = 4.465254970880233 (0.007796% change) large trace change predicted (0.015835%) linmin: converged after 3 iterations. iteration 10: trace = 4.464548380044759 (0.0158255% change) large trace change predicted (0.0385932%) linmin: converged after 6 iterations. iteration 11: trace = 4.462859568819666 (0.0378343% change) linmin: converged after 10 iterations. iteration 12: trace = 4.460811970277925 (0.0458914% change) linmin: converged after 6 iterations. iteration 13: trace = 4.459584283478679 (0.0275254% change) linmin: converged after 4 iterations. iteration 14: trace = 4.459118661364628 (0.0104415% change) linmin: converged after 7 iterations. iteration 15: trace = 4.458964421199068 (0.00345904% change) linmin: converged after 3 iterations. iteration 16: trace = 4.458929960323483 (0.000772848% change) linmin: converged after 3 iterations. iteration 17: trace = 4.458912092727452 (0.000400716% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458904032336828 (0.000180771% change) linmin: converged after 3 iterations. iteration 19: trace = 4.458899161081643 (0.000109248% change) linmin: converged after 4 iterations. iteration 20: trace = 4.458897017351457 (4.80776e-05% change) linmin: converged after 5 iterations. iteration 21: trace = 4.45889596075534 (2.36964e-05% change) linmin: converged after 6 iterations. iteration 22: trace = 4.458895419253098 (1.21443e-05% change) linmin: converged after 5 iterations. iteration 23: trace = 4.458895086285063 (7.4675e-06% change) linmin: converged after 5 iterations. iteration 24: trace = 4.458894672876793 (9.27154e-06% change) linmin: converged after 5 iterations. iteration 25: trace = 4.458893966784354 (1.58356e-05% change) linmin: converged after 5 iterations. iteration 26: trace = 4.458892812036253 (2.58976e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458891509286692 (2.92169e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458890473613824 (2.32271e-05% change) linmin: converged after 7 iterations. iteration 29: trace = 4.458889874545344 (1.34354e-05% change) linmin: converged after 4 iterations. iteration 30: trace = 4.458889622685652 (5.64848e-06% change) linmin: converged after 2 iterations. iteration 31: trace = 4.45888952643595 (2.1586e-06% change) linmin: converged after 7 iterations. iteration 32: trace = 4.458889488492838 (8.50954e-07% change) linmin: converged after 4 iterations. iteration 33: trace = 4.458889473720224 (3.31307e-07% change) linmin: converged after 2 iterations. iteration 34: trace = 4.45888946816392 (1.24612e-07% change) linmin: converged after 3 iterations. iteration 35: trace = 4.458889466116759 (4.59119e-08% change) linmin: converged after 5 iterations. iteration 36: trace = 4.45888946524228 (1.9612e-08% change) linmin: converged after 3 iterations. iteration 37: trace = 4.458889464752234 (1.09903e-08% change) linmin: converged after 18 iterations. iteration 38: trace = 4.4588894644632 (6.48219e-09% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458889464280369 (4.10038e-09% change) linmin: converged after 4 iterations. iteration 40: trace = 4.458889464100636 (4.03088e-09% change) linmin: converged after 4 iterations. iteration 41: trace = 4.458889463833435 (5.99255e-09% change) linmin: converged after 7 iterations. iteration 42: trace = 4.458889463451232 (8.5717e-09% change) linmin: converged after 8 iterations. iteration 43: trace = 4.458889462992349 (1.02914e-08% change) linmin: converged after 7 iterations. iteration 44: trace = 4.458889462497352 (1.11014e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.458889462139591 (8.02354e-09% change) linmin: converged after 4 iterations. iteration 46: trace = 4.458889461932944 (4.63448e-09% change) linmin: converged after 7 iterations. iteration 47: trace = 4.458889461821264 (2.50467e-09% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458889461773406 (1.07331e-09% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458889461754992 (4.12986e-10% change) linmin: converged after 4 iterations. iteration 50: trace = 4.458889461749086 (1.32443e-10% change) linmin: converged after 4 iterations. iteration 51: trace = 4.458889461747212 (4.20297e-11% change) Finished solving for bands 1 to 8 after 51 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.0694821, 0.652351, 0.679959, 0.706966, 0.760813, 0.839484, 0.84298, 1.03546 elapsed time for k point: 0.3156740665435791 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.492158134805232 (0.545791% change) linmin: converged after 5 iterations. iteration 2: trace = 4.485756356464682 (0.142612% change) linmin: converged after 4 iterations. iteration 3: trace = 4.48359772319342 (0.0481335% change) linmin: converged after 4 iterations. iteration 4: trace = 4.482688838957788 (0.0202734% change) linmin: converged after 4 iterations. iteration 5: trace = 4.482289052223193 (0.00891886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.482111886539243 (0.00395265% change) linmin: converged after 4 iterations. iteration 7: trace = 4.481989042618931 (0.0027408% change) linmin: converged after 4 iterations. iteration 8: trace = 4.481900761942899 (0.0019697% change) linmin: converged after 4 iterations. iteration 9: trace = 4.481819566982614 (0.00181164% change) linmin: converged after 4 iterations. iteration 10: trace = 4.481727172834768 (0.00206155% change) linmin: converged after 13 iterations. iteration 11: trace = 4.481640274020332 (0.00193898% change) linmin: converged after 4 iterations. iteration 12: trace = 4.481586984826549 (0.00118906% change) linmin: converged after 5 iterations. iteration 13: trace = 4.481566235482779 (0.000462992% change) linmin: converged after 4 iterations. iteration 14: trace = 4.481558614049679 (0.000170062% change) linmin: converged after 4 iterations. iteration 15: trace = 4.481555960259477 (5.92158e-05% change) linmin: converged after 18 iterations. iteration 16: trace = 4.481555115788896 (1.88432e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.481554758617398 (7.96981e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 4.481554675435327 (1.8561e-06% change) linmin: converged after 6 iterations. iteration 19: trace = 4.481554649662253 (5.75092e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.481554642967519 (1.49384e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.481554640848156 (4.72908e-08% change) linmin: converged after 3 iterations. iteration 22: trace = 4.481554640163128 (1.52855e-08% change) linmin: converged after 3 iterations. iteration 23: trace = 4.481554639855202 (6.87097e-09% change) linmin: converged after 2 iterations. iteration 24: trace = 4.481554639686879 (3.75591e-09% change) linmin: converged after 5 iterations. iteration 25: trace = 4.481554639614053 (1.625e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.48155463958997 (5.3738e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 4.481554639582904 (1.57676e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.481554639580319 (5.76719e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.137272, 0.615214, 0.658316, 0.688898, 0.777327, 0.869983, 0.879951, 1.02022 elapsed time for k point: 0.17290425300598145 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.54301972900394 (0.515577% change) linmin: converged after 4 iterations. iteration 2: trace = 4.537380948842903 (0.124197% change) linmin: converged after 4 iterations. iteration 3: trace = 4.535410322902087 (0.0434403% change) linmin: converged after 4 iterations. iteration 4: trace = 4.534688093386124 (0.0159255% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534407372590857 (0.00619071% change) linmin: converged after 4 iterations. iteration 6: trace = 4.534314483921439 (0.00204855% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534272775355565 (0.000919847% change) linmin: converged after 5 iterations. iteration 8: trace = 4.53425640839527 (0.000360962% change) linmin: converged after 4 iterations. iteration 9: trace = 4.53425029643229 (0.000134795% change) linmin: converged after 5 iterations. iteration 10: trace = 4.534247094432772 (7.06181e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.534244850401082 (4.94907e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.534242751425728 (4.62916e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.534241209054622 (3.40161e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 4.534240295109358 (2.01565e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.534239883207084 (9.08426e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 4.534239659653652 (4.93034e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 4.534239494917887 (3.63315e-06% change) linmin: converged after 9 iterations. iteration 18: trace = 4.53423941526584 (1.75668e-06% change) linmin: converged after 17 iterations. iteration 19: trace = 4.534239379667346 (7.85104e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.534239370364457 (2.0517e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.534239368024673 (5.16026e-08% change) linmin: converged after 15 iterations. iteration 22: trace = 4.534239367497578 (1.16248e-08% change) linmin: converged after 6 iterations. iteration 23: trace = 4.534239367336916 (3.54332e-09% change) linmin: converged after 9 iterations. iteration 24: trace = 4.534239367284071 (1.16546e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.534239367267459 (3.66359e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.534239367261488 (1.31692e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.534239367259118 (5.22811e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.200458, 0.560713, 0.652934, 0.672026, 0.788475, 0.905474, 0.920288, 1.00658 elapsed time for k point: 0.17020106315612793 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.621404992372711 (0.557147% change) linmin: converged after 4 iterations. iteration 2: trace = 4.6140413474812 (0.159465% change) linmin: converged after 4 iterations. iteration 3: trace = 4.61047769647457 (0.0772648% change) linmin: converged after 4 iterations. iteration 4: trace = 4.608710813617704 (0.0383306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.60786323375121 (0.0183925% change) linmin: converged after 4 iterations. iteration 6: trace = 4.607531544207422 (0.0071986% change) linmin: converged after 4 iterations. iteration 7: trace = 4.607374227312376 (0.0034144% change) linmin: converged after 4 iterations. iteration 8: trace = 4.607318349687175 (0.00121279% change) linmin: converged after 4 iterations. iteration 9: trace = 4.607296971209591 (0.000464012% change) linmin: converged after 5 iterations. iteration 10: trace = 4.607286359307485 (0.000230328% change) linmin: converged after 5 iterations. iteration 11: trace = 4.607280058156396 (0.000136765% change) linmin: converged after 5 iterations. iteration 12: trace = 4.607276056851829 (8.68475e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 4.607274338045066 (3.73064e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 4.607273686828223 (1.41345e-05% change) linmin: converged after 2 iterations. iteration 15: trace = 4.60727349105639 (4.24919e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.607273423326171 (1.47007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.60727339645474 (5.83239e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 4.607273383999384 (2.70341e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.607273373222187 (2.33917e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 4.607273363837915 (2.03684e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 4.607273356409584 (1.61231e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 4.607273352713705 (8.02184e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.607273351035127 (3.64332e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.607273350488983 (1.1854e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.607273350318332 (3.70395e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.607273350261742 (1.22828e-09% change) linmin: converged after 3 iterations. iteration 27: trace = 4.607273350235106 (5.7812e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.607273350217991 (3.71482e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.607273350209259 (1.8952e-10% change) linmin: converged after 4 iterations. iteration 30: trace = 4.607273350205848 (7.40265e-11% change) Finished solving for bands 1 to 8 after 30 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.251902, 0.513413, 0.649737, 0.660743, 0.79604, 0.93646, 0.952374, 1.00191 elapsed time for k point: 0.18431973457336426 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692438286201939 (0.712878% change) linmin: converged after 5 iterations. iteration 2: trace = 4.67858755927342 (0.295607% change) linmin: converged after 5 iterations. iteration 3: trace = 4.669219826103069 (0.200426% change) linmin: converged after 5 iterations. iteration 4: trace = 4.662995938259231 (0.133385% change) linmin: converged after 4 iterations. iteration 5: trace = 4.659382161777872 (0.0775291% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65741179558654 (0.0422971% change) linmin: converged after 4 iterations. iteration 7: trace = 4.656216146536877 (0.0256753% change) linmin: converged after 4 iterations. iteration 8: trace = 4.655574406992827 (0.0137834% change) linmin: converged after 4 iterations. iteration 9: trace = 4.655148468920621 (0.00914941% change) linmin: converged after 4 iterations. iteration 10: trace = 4.654836684042732 (0.00669786% change) linmin: converged after 4 iterations. iteration 11: trace = 4.654665296959346 (0.00368198% change) linmin: converged after 4 iterations. iteration 12: trace = 4.654604621969572 (0.00130354% change) linmin: converged after 5 iterations. iteration 13: trace = 4.654589608102698 (0.00032256% change) linmin: converged after 4 iterations. iteration 14: trace = 4.654585491988865 (8.84313e-05% change) linmin: converged after 4 iterations. iteration 15: trace = 4.654584391756915 (2.36376e-05% change) linmin: converged after 2 iterations. iteration 16: trace = 4.654584007912179 (8.2466e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.654583872099503 (2.91783e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.654583818003201 (1.16222e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.654583786952053 (6.67109e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.654583768788886 (3.90221e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.654583758229811 (2.26853e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.654583754130684 (8.80665e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.654583752195758 (4.15703e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.654583750968559 (2.63654e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 4.654583749955052 (2.17744e-08% change) linmin: converged after 10 iterations. iteration 26: trace = 4.654583749144854 (1.74064e-08% change) linmin: converged after 2 iterations. iteration 27: trace = 4.654583748504239 (1.37631e-08% change) linmin: converged after 2 iterations. iteration 28: trace = 4.654583748161551 (7.36237e-09% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65458374803795 (2.65546e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 4.654583747984037 (1.15828e-09% change) linmin: converged after 4 iterations. iteration 31: trace = 4.654583747952655 (6.74217e-10% change) linmin: converged after 2 iterations. iteration 32: trace = 4.654583747932777 (4.2707e-10% change) linmin: converged after 3 iterations. iteration 33: trace = 4.65458374792053 (2.63119e-10% change) linmin: converged after 5 iterations. iteration 34: trace = 4.654583747914256 (1.34794e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 4.654583747911483 (5.95734e-11% change) Finished solving for bands 1 to 8 after 35 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.274155, 0.492434, 0.648615, 0.656803, 0.798817, 0.949956, 0.963485, 1.00797 elapsed time for k point: 0.2221531867980957 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.663405538594692 (0.126187% change) linmin: converged after 4 iterations. iteration 2: trace = 4.661028794315041 (0.0509788% change) linmin: converged after 4 iterations. iteration 3: trace = 4.659462455612591 (0.0336106% change) linmin: converged after 4 iterations. iteration 4: trace = 4.658444596655547 (0.0218474% change) linmin: converged after 4 iterations. iteration 5: trace = 4.658018186979108 (0.0091539% change) linmin: converged after 4 iterations. iteration 6: trace = 4.657889867112099 (0.00275485% change) linmin: converged after 4 iterations. iteration 7: trace = 4.657833401920459 (0.00121226% change) linmin: converged after 5 iterations. iteration 8: trace = 4.65781204755369 (0.000458462% change) linmin: converged after 5 iterations. iteration 9: trace = 4.657804893687837 (0.000153589% change) linmin: converged after 2 iterations. iteration 10: trace = 4.657803287529403 (3.44832e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.657802747123242 (1.16022e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.657802583154767 (3.5203e-06% change) linmin: converged after 5 iterations. iteration 13: trace = 4.65780251250674 (1.51677e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.6578024827709 (6.38409e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 4.657802459850044 (4.92096e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.657802440944282 (4.05894e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 4.657802424135099 (3.60882e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.657802413141304 (2.3603e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.657802408226822 (1.05511e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.657802405927214 (4.93711e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 4.657802404388961 (3.30253e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.657802403523613 (1.85785e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.657802403119728 (8.67115e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 4.657802402939369 (3.87219e-09% change) linmin: converged after 12 iterations. iteration 25: trace = 4.657802402884991 (1.16746e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.657802402867798 (3.6913e-10% change) linmin: converged after 11 iterations. iteration 27: trace = 4.657802402862908 (1.04992e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.657802402861526 (2.96708e-11% change) Finished solving for bands 1 to 8 after 28 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.276103, 0.493884, 0.623964, 0.680084, 0.79654, 0.952442, 0.963435, 1.00796 elapsed time for k point: 0.17366743087768555 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.672735728065847 (0.129732% change) linmin: converged after 4 iterations. iteration 2: trace = 4.670213935694965 (0.0539828% change) linmin: converged after 9 iterations. iteration 3: trace = 4.668592631123381 (0.0347219% change) linmin: converged after 4 iterations. iteration 4: trace = 4.667637099611373 (0.0204693% change) linmin: converged after 4 iterations. iteration 5: trace = 4.667264545138923 (0.00798197% change) linmin: converged after 4 iterations. iteration 6: trace = 4.667162918370009 (0.00217746% change) linmin: converged after 4 iterations. iteration 7: trace = 4.667121297309043 (0.000891789% change) linmin: converged after 4 iterations. iteration 8: trace = 4.667105889510089 (0.000330136% change) linmin: converged after 5 iterations. iteration 9: trace = 4.667099608686899 (0.000134576% change) linmin: converged after 3 iterations. iteration 10: trace = 4.667097710975308 (4.06615e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 4.667096867241917 (1.80783e-05% change) linmin: converged after 6 iterations. iteration 12: trace = 4.667096564921277 (6.4777e-06% change) linmin: converged after 14 iterations. iteration 13: trace = 4.66709642353641 (3.0294e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.667096341918578 (1.74879e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.667096252445055 (1.91711e-06% change) linmin: converged after 20 iterations. iteration 16: trace = 4.667096174501475 (1.67007e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.667096128228516 (9.91472e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.667096109587968 (3.99404e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 4.667096103667988 (1.26845e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.667096101434449 (4.78571e-08% change) linmin: converged after 3 iterations. iteration 21: trace = 4.667096100309831 (2.40967e-08% change) linmin: converged after 6 iterations. iteration 22: trace = 4.667096099663392 (1.3851e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.667096099284753 (8.11295e-09% change) linmin: converged after 4 iterations. iteration 24: trace = 4.66709609908991 (4.17481e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 4.66709609900776 (1.7602e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.667096098964764 (9.21254e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 4.667096098939577 (5.39671e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 4.667096098919733 (4.25202e-10% change) linmin: converged after 8 iterations. iteration 29: trace = 4.667096098902281 (3.73933e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.667096098892164 (2.16778e-10% change) linmin: converged after 15 iterations. iteration 31: trace = 4.667096098888665 (7.49617e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.281494, 0.498189, 0.595471, 0.70467, 0.790197, 0.959226, 0.963379, 1.00792 elapsed time for k point: 0.19195961952209473 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.687244093032177 (0.138258% change) linmin: converged after 4 iterations. iteration 2: trace = 4.68450112164773 (0.058537% change) linmin: converged after 3 iterations. iteration 3: trace = 4.682869930576683 (0.0348271% change) linmin: converged after 4 iterations. iteration 4: trace = 4.682034068316317 (0.017851% change) linmin: converged after 4 iterations. iteration 5: trace = 4.681730640008873 (0.0064809% change) linmin: converged after 4 iterations. iteration 6: trace = 4.681655106922102 (0.00161337% change) linmin: converged after 3 iterations. iteration 7: trace = 4.681629472566263 (0.000547551% change) linmin: converged after 4 iterations. iteration 8: trace = 4.681621443725991 (0.000171497% change) linmin: converged after 4 iterations. iteration 9: trace = 4.681618077224002 (7.19089e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.681616737998083 (2.86061e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.681615858546355 (1.87852e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 4.681615429378891 (9.16708e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 4.681615194362362 (5.01999e-06% change) linmin: converged after 2 iterations. iteration 14: trace = 4.681615039712051 (3.30335e-06% change) linmin: converged after 6 iterations. iteration 15: trace = 4.681614869242017 (3.64127e-06% change) linmin: converged after 8 iterations. iteration 16: trace = 4.681614726230351 (3.05475e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.681614658041417 (1.45653e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.681614630400924 (5.90405e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.68161462095171 (2.01837e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.681614615856853 (1.08827e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.681614612123163 (7.97522e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.681614608813805 (7.06884e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.68161460661389 (4.69905e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.681614605684865 (1.98441e-08% change) linmin: converged after 7 iterations. iteration 25: trace = 4.681614605285612 (8.52811e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 4.681614605099324 (3.97913e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.681614605024981 (1.58798e-09% change) linmin: converged after 2 iterations. iteration 28: trace = 4.681614605000406 (5.24926e-10% change) linmin: converged after 2 iterations. iteration 29: trace = 4.681614604988978 (2.44108e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 4.681614604983472 (1.17605e-10% change) linmin: converged after 17 iterations. iteration 31: trace = 4.681614604980835 (5.63268e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.288945, 0.505245, 0.568143, 0.726282, 0.780907, 0.962873, 0.969263, 1.00805 elapsed time for k point: 0.19559788703918457 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.705683450233832 (0.150475% change) linmin: converged after 4 iterations. iteration 2: trace = 4.702693967398454 (0.0635494% change) linmin: converged after 4 iterations. iteration 3: trace = 4.701070860685245 (0.0345204% change) linmin: converged after 4 iterations. iteration 4: trace = 4.700326710701877 (0.0158306% change) linmin: converged after 4 iterations. iteration 5: trace = 4.700066397544942 (0.00553835% change) linmin: converged after 4 iterations. iteration 6: trace = 4.699999664100543 (0.00141985% change) linmin: converged after 3 iterations. iteration 7: trace = 4.699978616958633 (0.000447813% change) linmin: converged after 4 iterations. iteration 8: trace = 4.699972034548925 (0.000140052% change) linmin: converged after 4 iterations. iteration 9: trace = 4.699969000630877 (6.45519e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 4.699967170929802 (3.89301e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 4.699965319407021 (3.93944e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.699964030426752 (2.74253e-05% change) linmin: converged after 2 iterations. iteration 13: trace = 4.699963193699698 (1.78028e-05% change) linmin: converged after 13 iterations. iteration 14: trace = 4.699962560785059 (1.34664e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 4.699961832691024 (1.54915e-05% change) linmin: converged after 8 iterations. iteration 16: trace = 4.699961225600806 (1.29169e-05% change) linmin: converged after 3 iterations. iteration 17: trace = 4.699960906583666 (6.78765e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 4.699960737235768 (3.60318e-06% change) linmin: converged after 2 iterations. iteration 19: trace = 4.699960644725966 (1.96831e-06% change) linmin: converged after 2 iterations. iteration 20: trace = 4.699960592889878 (1.1029e-06% change) linmin: converged after 2 iterations. iteration 21: trace = 4.699960564066775 (6.13263e-07% change) linmin: converged after 2 iterations. iteration 22: trace = 4.699960551853538 (2.59858e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.69996054723549 (9.82572e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 4.699960545971039 (2.69034e-08% change) linmin: converged after 16 iterations. iteration 25: trace = 4.699960545396193 (1.22309e-08% change) linmin: converged after 4 iterations. iteration 26: trace = 4.699960545062289 (7.10439e-09% change) linmin: converged after 4 iterations. iteration 27: trace = 4.699960544894044 (3.57971e-09% change) linmin: converged after 8 iterations. iteration 28: trace = 4.699960544831154 (1.3381e-09% change) linmin: converged after 6 iterations. iteration 29: trace = 4.699960544805101 (5.54341e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 4.699960544792848 (2.60692e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 4.699960544786444 (1.36251e-10% change) linmin: converged after 3 iterations. iteration 32: trace = 4.699960544782283 (8.85351e-11% change) Finished solving for bands 1 to 8 after 32 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.29604, 0.514888, 0.544209, 0.744263, 0.76985, 0.962861, 0.978949, 1.00946 elapsed time for k point: 0.2037363052368164 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.726091835505287 (0.165622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.722802797492552 (0.0696174% change) linmin: converged after 4 iterations. iteration 3: trace = 4.721109191086882 (0.0358666% change) linmin: converged after 4 iterations. iteration 4: trace = 4.720325201509452 (0.0166074% change) linmin: converged after 4 iterations. iteration 5: trace = 4.72002872799142 (0.00628098% change) linmin: converged after 4 iterations. iteration 6: trace = 4.719918630346546 (0.00233259% change) linmin: converged after 4 iterations. iteration 7: trace = 4.719865321785012 (0.00112944% change) linmin: converged after 4 iterations. iteration 8: trace = 4.719831657789942 (0.000713243% change) linmin: converged after 4 iterations. iteration 9: trace = 4.71980741335517 (0.000513673% change) linmin: converged after 5 iterations. iteration 10: trace = 4.719790508681744 (0.000358165% change) linmin: converged after 5 iterations. iteration 11: trace = 4.719779814604564 (0.00022658% change) linmin: converged after 4 iterations. iteration 12: trace = 4.719770348472877 (0.000200563% change) linmin: converged after 5 iterations. iteration 13: trace = 4.719756280307735 (0.000298069% change) large trace change predicted (0.000793235%) linmin: converged after 15 iterations. iteration 14: trace = 4.719718876294719 (0.000792502% change) large trace change predicted (0.00173209%) linmin: converged after 4 iterations. iteration 15: trace = 4.719637476238337 (0.0017247% change) linmin: converged after 3 iterations. iteration 16: trace = 4.719538716015165 (0.00209256% change) linmin: converged after 6 iterations. iteration 17: trace = 4.719446199514753 (0.00196031% change) linmin: converged after 5 iterations. iteration 18: trace = 4.719342067157387 (0.00220648% change) linmin: converged after 4 iterations. iteration 19: trace = 4.719250145660985 (0.00194778% change) linmin: converged after 4 iterations. iteration 20: trace = 4.719204779897166 (0.000961296% change) linmin: converged after 3 iterations. iteration 21: trace = 4.719181996963679 (0.000482772% change) linmin: converged after 3 iterations. iteration 22: trace = 4.71917349179555 (0.000180226% change) linmin: converged after 3 iterations. iteration 23: trace = 4.719169509308651 (8.43895e-05% change) linmin: converged after 4 iterations. iteration 24: trace = 4.719167458935975 (4.34478e-05% change) linmin: converged after 4 iterations. iteration 25: trace = 4.719165917310743 (3.26673e-05% change) linmin: converged after 4 iterations. iteration 26: trace = 4.71916510764345 (1.7157e-05% change) linmin: converged after 2 iterations. iteration 27: trace = 4.719164862213012 (5.20072e-06% change) linmin: converged after 2 iterations. iteration 28: trace = 4.719164785194017 (1.63205e-06% change) linmin: converged after 2 iterations. iteration 29: trace = 4.719164760924096 (5.14284e-07% change) linmin: converged after 2 iterations. iteration 30: trace = 4.719164750429895 (2.22374e-07% change) linmin: converged after 2 iterations. iteration 31: trace = 4.719164743982211 (1.36628e-07% change) linmin: converged after 2 iterations. iteration 32: trace = 4.719164738001871 (1.26725e-07% change) linmin: converged after 2 iterations. iteration 33: trace = 4.719164732533893 (1.15867e-07% change) linmin: converged after 3 iterations. iteration 34: trace = 4.719164729191952 (7.08164e-08% change) linmin: converged after 4 iterations. iteration 35: trace = 4.719164727748357 (3.05901e-08% change) linmin: converged after 2 iterations. iteration 36: trace = 4.71916472725019 (1.05563e-08% change) linmin: converged after 2 iterations. iteration 37: trace = 4.719164726984241 (5.63551e-09% change) linmin: converged after 9 iterations. iteration 38: trace = 4.719164726836323 (3.13441e-09% change) linmin: converged after 2 iterations. iteration 39: trace = 4.719164726707298 (2.73406e-09% change) linmin: converged after 3 iterations. iteration 40: trace = 4.719164726548755 (3.35956e-09% change) linmin: converged after 10 iterations. iteration 41: trace = 4.719164726296947 (5.33585e-09% change) linmin: converged after 2 iterations. iteration 42: trace = 4.719164725852078 (9.42686e-09% change) linmin: converged after 13 iterations. iteration 43: trace = 4.719164725066077 (1.66555e-08% change) linmin: converged after 14 iterations. iteration 44: trace = 4.71916472372212 (2.84787e-08% change) linmin: converged after 4 iterations. iteration 45: trace = 4.719164722419702 (2.75985e-08% change) linmin: converged after 16 iterations. iteration 46: trace = 4.719164721562477 (1.81648e-08% change) linmin: converged after 21 iterations. iteration 47: trace = 4.719164720988466 (1.21634e-08% change) linmin: converged after 12 iterations. iteration 48: trace = 4.719164720623193 (7.74021e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 4.71916472038204 (5.11008e-09% change) linmin: converged after 10 iterations. iteration 50: trace = 4.719164720281913 (2.12171e-09% change) linmin: converged after 4 iterations. iteration 51: trace = 4.719164720241513 (8.56096e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 4.719164720225395 (3.41539e-10% change) linmin: converged after 3 iterations. iteration 53: trace = 4.719164720218767 (1.4044e-10% change) linmin: converged after 5 iterations. iteration 54: trace = 4.719164720216025 (5.81182e-11% change) Finished solving for bands 1 to 8 after 54 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.299305, 0.526635, 0.526971, 0.757838, 0.758439, 0.962922, 0.983456, 1.01518 elapsed time for k point: 0.32970428466796875 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.692944380167901 (0.970793% change) linmin: converged after 5 iterations. iteration 2: trace = 4.672476472712366 (0.437095% change) linmin: converged after 5 iterations. iteration 3: trace = 4.66134504154787 (0.238518% change) linmin: converged after 5 iterations. iteration 4: trace = 4.656898551873837 (0.0954362% change) linmin: converged after 4 iterations. iteration 5: trace = 4.655008764250136 (0.0405886% change) linmin: converged after 4 iterations. iteration 6: trace = 4.65439933608623 (0.0130927% change) linmin: converged after 4 iterations. iteration 7: trace = 4.654116590783703 (0.00607498% change) linmin: converged after 4 iterations. iteration 8: trace = 4.654018455429475 (0.00210859% change) linmin: converged after 4 iterations. iteration 9: trace = 4.653979714231966 (0.000832428% change) linmin: converged after 4 iterations. iteration 10: trace = 4.653965914128501 (0.000296523% change) linmin: converged after 4 iterations. iteration 11: trace = 4.653960270293428 (0.000121269% change) linmin: converged after 4 iterations. iteration 12: trace = 4.653958279342972 (4.27797e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 4.653957534859846 (1.59968e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 4.653957210162117 (6.97681e-06% change) linmin: converged after 2 iterations. iteration 15: trace = 4.65395702585214 (3.96029e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.653956928560747 (2.09051e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.653956875769952 (1.13432e-06% change) linmin: converged after 13 iterations. iteration 18: trace = 4.653956841201484 (7.42776e-07% change) linmin: converged after 6 iterations. iteration 19: trace = 4.653956819085474 (4.75209e-07% change) linmin: converged after 6 iterations. iteration 20: trace = 4.653956809935063 (1.96616e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.653956806517482 (7.34339e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 4.653956805199021 (2.83299e-08% change) linmin: converged after 2 iterations. iteration 23: trace = 4.65395680466305 (1.15165e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 4.653956804367976 (6.34029e-09% change) linmin: converged after 4 iterations. iteration 25: trace = 4.653956804189207 (3.84123e-09% change) linmin: converged after 4 iterations. iteration 26: trace = 4.65395680409557 (2.01199e-09% change) linmin: converged after 2 iterations. iteration 27: trace = 4.653956804061929 (7.2284e-10% change) linmin: converged after 6 iterations. iteration 28: trace = 4.653956804052053 (2.12199e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 4.65395680404941 (5.67951e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.280656, 0.522942, 0.556626, 0.735071, 0.77423, 0.95812, 0.968138, 0.99842 elapsed time for k point: 0.17632007598876953 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.588920978578234 (0.874534% change) linmin: converged after 4 iterations. iteration 2: trace = 4.575249860619992 (0.29836% change) linmin: converged after 4 iterations. iteration 3: trace = 4.569227615780098 (0.131713% change) linmin: converged after 4 iterations. iteration 4: trace = 4.567129923726858 (0.0459197% change) linmin: converged after 4 iterations. iteration 5: trace = 4.566231478753179 (0.0196739% change) linmin: converged after 4 iterations. iteration 6: trace = 4.565933792276804 (0.00651952% change) linmin: converged after 4 iterations. iteration 7: trace = 4.565803133406301 (0.00286164% change) linmin: converged after 4 iterations. iteration 8: trace = 4.565757220078061 (0.0010056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.565743625954823 (0.000297741% change) linmin: converged after 4 iterations. iteration 10: trace = 4.565739612896303 (8.7895e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.565738200055283 (3.09444e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.565737746810887 (9.92708e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.565737597483525 (3.27061e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.565737552537141 (9.84428e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.565737539290494 (2.90132e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 4.565737535646702 (7.98073e-08% change) linmin: converged after 8 iterations. iteration 17: trace = 4.565737534603485 (2.28488e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.565737534315074 (6.31686e-09% change) linmin: converged after 5 iterations. iteration 19: trace = 4.565737534206797 (2.37151e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 4.565737534143939 (1.37674e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.565737534100027 (9.61782e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 4.565737534070947 (6.36915e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 4.56573753405284 (3.96591e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 4.56573753404194 (2.38729e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 4.56573753403582 (1.34032e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 4.565737534032801 (6.61212e-11% change) Finished solving for bands 1 to 8 after 26 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.227959, 0.557659, 0.592002, 0.715363, 0.778635, 0.930406, 0.931674, 1.00032 elapsed time for k point: 0.1658799648284912 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.508620212892092 (0.753199% change) linmin: converged after 4 iterations. iteration 2: trace = 4.499716957737254 (0.197667% change) linmin: converged after 3 iterations. iteration 3: trace = 4.496660861798947 (0.0679406% change) linmin: converged after 4 iterations. iteration 4: trace = 4.495746516235535 (0.0203359% change) linmin: converged after 4 iterations. iteration 5: trace = 4.495430397031106 (0.00703176% change) linmin: converged after 4 iterations. iteration 6: trace = 4.495345271640709 (0.00189362% change) linmin: converged after 4 iterations. iteration 7: trace = 4.495315544672337 (0.000661286% change) linmin: converged after 5 iterations. iteration 8: trace = 4.495303649148995 (0.000264621% change) linmin: converged after 3 iterations. iteration 9: trace = 4.495300564167791 (6.86268e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 4.495299803160997 (1.69289e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 4.495299629871562 (3.8549e-06% change) linmin: converged after 5 iterations. iteration 12: trace = 4.495299593694352 (8.04779e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 4.495299585129781 (1.90523e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 4.4952995829639 (4.8181e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 4.49529958214405 (1.8238e-08% change) linmin: converged after 28 iterations. iteration 16: trace = 4.495299581549299 (1.32305e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.495299580823784 (1.61394e-08% change) linmin: converged after 8 iterations. iteration 18: trace = 4.495299579922003 (2.00605e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.495299579325445 (1.32707e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 4.49529957906551 (5.78236e-09% change) linmin: converged after 3 iterations. iteration 21: trace = 4.49529957896095 (2.326e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 4.49529957891384 (1.04798e-09% change) linmin: converged after 6 iterations. iteration 23: trace = 4.495299578893935 (4.42795e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 4.495299578886663 (1.61758e-10% change) linmin: converged after 4 iterations. iteration 25: trace = 4.495299578884336 (5.17658e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.157628, 0.611565, 0.627491, 0.703542, 0.775273, 0.887377, 0.887503, 1.01567 elapsed time for k point: 0.1586315631866455 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.473866004790979 (0.70844% change) linmin: converged after 4 iterations. iteration 2: trace = 4.466337931880157 (0.168409% change) linmin: converged after 4 iterations. iteration 3: trace = 4.464014970093497 (0.052024% change) linmin: converged after 3 iterations. iteration 4: trace = 4.463224313439719 (0.0177134% change) linmin: converged after 3 iterations. iteration 5: trace = 4.462870601137268 (0.00792535% change) linmin: converged after 3 iterations. iteration 6: trace = 4.462724153332467 (0.00328152% change) linmin: converged after 3 iterations. iteration 7: trace = 4.462635338597414 (0.00199017% change) linmin: converged after 4 iterations. iteration 8: trace = 4.46258977672777 (0.00102097% change) linmin: converged after 4 iterations. iteration 9: trace = 4.462576102002991 (0.000306431% change) linmin: converged after 5 iterations. iteration 10: trace = 4.462571864667408 (9.49527e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 4.462570546980006 (2.95275e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 4.462570139814242 (9.12402e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 4.462570010886544 (2.88909e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 4.462569981202189 (6.65185e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 4.462569970590501 (2.37793e-07% change) linmin: converged after 3 iterations. iteration 16: trace = 4.462569966989759 (8.06876e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 4.462569964422028 (5.75393e-08% change) linmin: converged after 4 iterations. iteration 18: trace = 4.462569961021078 (7.62106e-08% change) large trace change predicted (1.59484e-07%) linmin: converged after 4 iterations. iteration 19: trace = 4.462569953904024 (1.59483e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 4.46256994368324 (2.29034e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.462569934609524 (2.03329e-07% change) linmin: converged after 3 iterations. iteration 22: trace = 4.462569927927913 (1.49726e-07% change) linmin: converged after 4 iterations. iteration 23: trace = 4.462569924053902 (8.68112e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 4.462569921863484 (4.90842e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 4.462569921105942 (1.69755e-08% change) linmin: converged after 18 iterations. iteration 26: trace = 4.462569920846194 (5.82059e-09% change) linmin: converged after 18 iterations. iteration 27: trace = 4.462569920755986 (2.02143e-09% change) linmin: converged after 4 iterations. iteration 28: trace = 4.462569920708029 (1.07465e-09% change) linmin: converged after 7 iterations. iteration 29: trace = 4.462569920679469 (6.39996e-10% change) linmin: converged after 15 iterations. iteration 30: trace = 4.462569920665285 (3.17848e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 4.462569920661394 (8.71745e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0801245, 0.65125, 0.670687, 0.706804, 0.763085, 0.844811, 0.846761, 1.03423 elapsed time for k point: 0.19193696975708008 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.478658555603819 (0.729587% change) linmin: converged after 5 iterations. iteration 2: trace = 4.469039616062341 (0.215004% change) linmin: converged after 4 iterations. iteration 3: trace = 4.465022814409604 (0.0899211% change) linmin: converged after 4 iterations. iteration 4: trace = 4.462099683144574 (0.0654888% change) linmin: converged after 5 iterations. iteration 5: trace = 4.460047398383897 (0.0460043% change) linmin: converged after 4 iterations. iteration 6: trace = 4.459144908739186 (0.020237% change) linmin: converged after 4 iterations. iteration 7: trace = 4.458741257123712 (0.00905263% change) linmin: converged after 4 iterations. iteration 8: trace = 4.458626601085926 (0.00257152% change) linmin: converged after 4 iterations. iteration 9: trace = 4.458596309902849 (0.000679386% change) linmin: converged after 5 iterations. iteration 10: trace = 4.458587755439019 (0.000191865% change) linmin: converged after 6 iterations. iteration 11: trace = 4.458585207925357 (5.71372e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 4.45858449001386 (1.61018e-05% change) linmin: converged after 24 iterations. iteration 13: trace = 4.458584277335135 (4.7701e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 4.458584200806313 (1.71644e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 4.458584152120826 (1.09195e-06% change) linmin: converged after 14 iterations. iteration 16: trace = 4.458584133462662 (4.18477e-07% change) linmin: converged after 2 iterations. iteration 17: trace = 4.458584124789706 (1.94523e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 4.458584118093987 (1.50176e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 4.458584108089635 (2.24384e-07% change) linmin: converged after 2 iterations. iteration 20: trace = 4.458584093760502 (3.21383e-07% change) linmin: converged after 2 iterations. iteration 21: trace = 4.458584070135795 (5.2987e-07% change) large trace change predicted (1.49556e-06%) linmin: converged after 12 iterations. iteration 22: trace = 4.458584003454766 (1.49557e-06% change) large trace change predicted (5.07369e-06%) linmin: converged after 3 iterations. iteration 23: trace = 4.458583777248651 (5.0735e-06% change) near maximum in trace linmin: converged after 18 iterations. iteration 24: trace = 4.458459762226113 (0.00278153% change) linmin: converged after 8 iterations. iteration 25: trace = 4.458458097222653 (3.73448e-05% change) linmin: converged after 6 iterations. iteration 26: trace = 4.458456435414942 (3.72732e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 4.458454780836334 (3.7111e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 4.458453133770327 (3.69425e-05% change) linmin: converged after 4 iterations. iteration 29: trace = 4.458451492344961 (3.6816e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 4.458449853546941 (3.67571e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 4.458448213826725 (3.67778e-05% change) linmin: converged after 9 iterations. iteration 32: trace = 4.458446569444464 (3.68824e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 4.458444916661476 (3.70708e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 4.458443251842857 (3.73408e-05% change) linmin: converged after 5 iterations. iteration 35: trace = 4.458441571511066 (3.76888e-05% change) linmin: converged after 6 iterations. iteration 36: trace = 4.458439872373875 (3.81106e-05% change) linmin: converged after 6 iterations. iteration 37: trace = 4.45843815133906 (3.86017e-05% change) linmin: converged after 9 iterations. iteration 38: trace = 4.458436405527778 (3.91575e-05% change) linmin: converged after 4 iterations. iteration 39: trace = 4.458434632293662 (3.97726e-05% change) linmin: converged after 6 iterations. iteration 40: trace = 4.458432829221961 (4.04418e-05% change) linmin: converged after 3 iterations. iteration 41: trace = 4.458430994161017 (4.11593e-05% change) linmin: converged after 14 iterations. iteration 42: trace = 4.458429125248355 (4.19186e-05% change) linmin: converged after 6 iterations. iteration 43: trace = 4.458427220938673 (4.27126e-05% change) linmin: converged after 5 iterations. iteration 44: trace = 4.458425280015929 (4.35338e-05% change) linmin: converged after 3 iterations. iteration 45: trace = 4.458423301666431 (4.43733e-05% change) linmin: converged after 8 iterations. iteration 46: trace = 4.458421285489043 (4.52218e-05% change) linmin: converged after 5 iterations. iteration 47: trace = 4.458419231568029 (4.60684e-05% change) linmin: converged after 6 iterations. iteration 48: trace = 4.458417140375668 (4.69044e-05% change) linmin: converged after 5 iterations. iteration 49: trace = 4.458415012986048 (4.77163e-05% change) linmin: converged after 9 iterations. iteration 50: trace = 4.458412850959375 (4.84932e-05% change) linmin: converged after 5 iterations. iteration 51: trace = 4.458410656393371 (4.9223e-05% change) linmin: converged after 10 iterations. iteration 52: trace = 4.458408431819379 (4.98961e-05% change) linmin: converged after 15 iterations. iteration 53: trace = 4.458406180361353 (5.04992e-05% change) linmin: converged after 7 iterations. iteration 54: trace = 4.458403905412517 (5.10261e-05% change) linmin: converged after 7 iterations. iteration 55: trace = 4.45840161065304 (5.14704e-05% change) linmin: converged after 16 iterations. iteration 56: trace = 4.458399300195559 (5.18226e-05% change) linmin: converged after 9 iterations. iteration 57: trace = 4.458396978238211 (5.20805e-05% change) linmin: converged after 5 iterations. iteration 58: trace = 4.458394649064632 (5.22424e-05% change) linmin: converged after 11 iterations. iteration 59: trace = 4.45839231672281 (5.23135e-05% change) linmin: converged after 5 iterations. iteration 60: trace = 4.458389985422865 (5.22902e-05% change) linmin: converged after 6 iterations. iteration 61: trace = 4.458387658799612 (5.21853e-05% change) linmin: converged after 7 iterations. iteration 62: trace = 4.458385340460435 (5.19995e-05% change) linmin: converged after 5 iterations. iteration 63: trace = 4.458383033641146 (5.17412e-05% change) linmin: converged after 4 iterations. iteration 64: trace = 4.458380740987514 (5.14234e-05% change) linmin: converged after 5 iterations. iteration 65: trace = 4.458378464950087 (5.10508e-05% change) linmin: converged after 9 iterations. iteration 66: trace = 4.458376207509239 (5.06337e-05% change) linmin: converged after 6 iterations. iteration 67: trace = 4.458373970256708 (5.01809e-05% change) linmin: converged after 7 iterations. iteration 68: trace = 4.458371754419538 (4.97006e-05% change) linmin: converged after 6 iterations. iteration 69: trace = 4.458369560891834 (4.92002e-05% change) resetting CG direction... large trace change predicted (0.0705967%) linmin: converged after 3 iterations. iteration 70: trace = 4.455218432031194 (0.0707039% change) linmin: converged after 3 iterations. iteration 71: trace = 4.454076300097985 (0.0256391% change) linmin: converged after 3 iterations. iteration 72: trace = 4.453233408933235 (0.0189258% change) linmin: converged after 3 iterations. iteration 73: trace = 4.452750380332034 (0.0108473% change) linmin: converged after 3 iterations. iteration 74: trace = 4.45248621999205 (0.0059327% change) linmin: converged after 3 iterations. iteration 75: trace = 4.45238135297291 (0.00235527% change) linmin: converged after 4 iterations. iteration 76: trace = 4.452332140018962 (0.00110532% change) linmin: converged after 3 iterations. iteration 77: trace = 4.452312679335096 (0.000437091% change) linmin: converged after 3 iterations. iteration 78: trace = 4.452300707160372 (0.000268898% change) linmin: converged after 3 iterations. iteration 79: trace = 4.452288391133961 (0.000276622% change) linmin: converged after 4 iterations. iteration 80: trace = 4.452272801291765 (0.000350154% change) linmin: converged after 4 iterations. iteration 81: trace = 4.452249228852717 (0.000529449% change) linmin: converged after 3 iterations. iteration 82: trace = 4.452204258025057 (0.00101007% change) linmin: converged after 4 iterations. iteration 83: trace = 4.452119844389218 (0.00189601% change) linmin: converged after 3 iterations. iteration 84: trace = 4.45203054303226 (0.00200584% change) linmin: converged after 5 iterations. iteration 85: trace = 4.451975522790121 (0.00123585% change) linmin: converged after 3 iterations. iteration 86: trace = 4.451956336683962 (0.000430958% change) linmin: converged after 3 iterations. iteration 87: trace = 4.451951182947111 (0.000115763% change) linmin: converged after 3 iterations. iteration 88: trace = 4.45194992695437 (2.82122e-05% change) linmin: converged after 2 iterations. iteration 89: trace = 4.451949633717591 (6.5867e-06% change) linmin: converged after 2 iterations. iteration 90: trace = 4.451949555039655 (1.76727e-06% change) linmin: converged after 2 iterations. iteration 91: trace = 4.451949527224505 (6.24786e-07% change) linmin: converged after 20 iterations. iteration 92: trace = 4.451949519989437 (1.62515e-07% change) linmin: converged after 3 iterations. iteration 93: trace = 4.451949518321356 (3.74686e-08% change) linmin: converged after 3 iterations. iteration 94: trace = 4.451949517531383 (1.77444e-08% change) linmin: converged after 3 iterations. iteration 95: trace = 4.45194951701959 (1.14959e-08% change) linmin: converged after 11 iterations. iteration 96: trace = 4.451949516565071 (1.02094e-08% change) linmin: converged after 2 iterations. iteration 97: trace = 4.451949516311299 (5.70025e-09% change) linmin: converged after 2 iterations. iteration 98: trace = 4.45194951618584 (2.81806e-09% change) linmin: converged after 3 iterations. iteration 99: trace = 4.451949516111402 (1.67202e-09% change) large trace change predicted (3.42048e-09%) linmin: converged after 3 iterations. iteration 100: trace = 4.451949515959129 (3.42038e-09% change) linmin: converged after 5 iterations. iteration 101: trace = 4.45194951567253 (6.43759e-09% change) linmin: converged after 3 iterations. iteration 102: trace = 4.451949515253565 (9.41083e-09% change) linmin: converged after 3 iterations. iteration 103: trace = 4.451949514776373 (1.07187e-08% change) linmin: converged after 2 iterations. iteration 104: trace = 4.451949514168423 (1.36558e-08% change) linmin: converged after 4 iterations. iteration 105: trace = 4.451949513641425 (1.18375e-08% change) linmin: converged after 3 iterations. iteration 106: trace = 4.45194951344526 (4.40627e-09% change) linmin: converged after 12 iterations. iteration 107: trace = 4.451949513374773 (1.5833e-09% change) linmin: converged after 2 iterations. iteration 108: trace = 4.451949513356691 (4.06149e-10% change) linmin: converged after 4 iterations. iteration 109: trace = 4.451949513352739 (8.87789e-11% change) Finished solving for bands 2 to 8 after 109 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.656836, 0.715623, 0.716068, 0.738377, 0.825979, 0.827163, 1.04116 elapsed time for k point: 0.5497844219207764 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2993049473117474 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.49243428236220704 at Vector3<0.0, 0.5, 0.0> to 0.6568362683499379 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.526971050644882 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7156232200212519 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.6568031427446027 at Vector3<0.0, 0.5, 0.0> to 0.7578382217502104 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7383774303752573 at Vector3<0.0, 0.0, 0.0> to 0.7988168792802602 at Vector3<0.0, 0.5, 0.0> Band 6 range: 0.825978716470153 at Vector3<0.0, 0.0, 0.0> to 0.9629215441012379 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.8271634538840882 at Vector3<0.0, 0.0, 0.0> to 0.9834563303529559 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 8 range: 0.9984200611839871 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.0411551252079025 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2993049473117474) to band 2 (0.49243428236220704), 48.78609719263048% Gap from band 5 (0.7988168792802602) to band 6 (0.825978716470153), 3.343415905475546% Gap from band 7 (0.9834563303529559) to band 8 (0.9984200611839871), 1.5100569233207162% total elapsed time for run: 3.691168785095215 done Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.45, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 3 and 16 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0021386146545410156 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 8 iterations. iteration 1: trace = 9.345806662498543 (196.355% change) linmin: converged after 7 iterations. iteration 2: trace = 3.455682105603809 (92.0225% change) linmin: converged after 5 iterations. iteration 3: trace = 2.964925980590619 (15.2869% change) linmin: converged after 5 iterations. iteration 4: trace = 2.881973434637948 (2.83749% change) linmin: converged after 5 iterations. iteration 5: trace = 2.868382752776488 (0.47269% change) linmin: converged after 4 iterations. iteration 6: trace = 2.865183812544309 (0.111586% change) linmin: converged after 5 iterations. iteration 7: trace = 2.863590833741099 (0.0556132% change) linmin: converged after 4 iterations. iteration 8: trace = 2.862863745162171 (0.025394% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862718556173162 (0.00507159% change) linmin: converged after 7 iterations. iteration 10: trace = 2.862686082422818 (0.00113437% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862646034309393 (0.00139898% change) linmin: converged after 5 iterations. iteration 12: trace = 2.862568116843556 (0.00272191% change) linmin: converged after 5 iterations. iteration 13: trace = 2.862522529156347 (0.00159256% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862507023053621 (0.000541695% change) linmin: converged after 4 iterations. iteration 15: trace = 2.8624970244307 (0.000349297% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862491945372417 (0.000177435% change) linmin: converged after 5 iterations. iteration 17: trace = 2.862490865834021 (3.77132e-05% change) linmin: converged after 3 iterations. iteration 18: trace = 2.8624907260452 (4.88347e-06% change) linmin: converged after 4 iterations. iteration 19: trace = 2.862490708248829 (6.21709e-07% change) linmin: converged after 4 iterations. iteration 20: trace = 2.862490703921476 (1.51174e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 2.862490700442617 (1.21533e-07% change) linmin: converged after 13 iterations. iteration 22: trace = 2.862490696942737 (1.22267e-07% change) linmin: converged after 3 iterations. iteration 23: trace = 2.862490694617053 (8.12468e-08% change) linmin: converged after 8 iterations. iteration 24: trace = 2.862490692196367 (8.45658e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.862490689635969 (8.94465e-08% change) linmin: converged after 6 iterations. iteration 26: trace = 2.862490688812153 (2.87797e-08% change) linmin: converged after 14 iterations. iteration 27: trace = 2.86249068865775 (5.39401e-09% change) linmin: converged after 16 iterations. iteration 28: trace = 2.862490688633992 (8.29988e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 2.862490688625448 (2.98475e-10% change) linmin: converged after 9 iterations. iteration 30: trace = 2.862490688620294 (1.80041e-10% change) linmin: converged after 3 iterations. iteration 31: trace = 2.86249068861899 (4.55494e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 elapsed time for k point: 0.16090035438537598 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.859266533744322 (1.54925% change) linmin: converged after 5 iterations. iteration 2: trace = 2.842743885401787 (0.579538% change) linmin: converged after 5 iterations. iteration 3: trace = 2.837677720077269 (0.178373% change) linmin: converged after 4 iterations. iteration 4: trace = 2.836732000258409 (0.0333328% change) linmin: converged after 5 iterations. iteration 5: trace = 2.836186496133744 (0.0192319% change) linmin: converged after 5 iterations. iteration 6: trace = 2.835585889967723 (0.0211788% change) linmin: converged after 4 iterations. iteration 7: trace = 2.83532925090223 (0.00905106% change) linmin: converged after 4 iterations. iteration 8: trace = 2.835307580260289 (0.000764311% change) linmin: converged after 4 iterations. iteration 9: trace = 2.835302898412854 (0.000165127% change) linmin: converged after 5 iterations. iteration 10: trace = 2.835301638980056 (4.44197e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 2.835301372354519 (9.40378e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 2.835301336476825 (1.26539e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 2.835301332836303 (1.284e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 2.835301331052824 (6.29026e-08% change) linmin: converged after 9 iterations. iteration 15: trace = 2.835301329637784 (4.99079e-08% change) linmin: converged after 25 iterations. iteration 16: trace = 2.835301328974365 (2.33985e-08% change) linmin: converged after 6 iterations. iteration 17: trace = 2.835301328638409 (1.18491e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.835301328502631 (4.78884e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 2.83530132848065 (7.75249e-10% change) linmin: converged after 8 iterations. iteration 20: trace = 2.835301328478701 (6.87443e-11% change) Finished solving for bands 1 to 8 after 20 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0581198, 0.391139, 0.491701, 0.498714, 0.658377, 0.683973, 0.717136, 0.879138 elapsed time for k point: 0.12636756896972656 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.801047583435341 (1.13558% change) linmin: converged after 5 iterations. iteration 2: trace = 2.796644378333248 (0.157322% change) linmin: converged after 4 iterations. iteration 3: trace = 2.7959288782003 (0.0255875% change) linmin: converged after 4 iterations. iteration 4: trace = 2.795770481181542 (0.00566543% change) linmin: converged after 9 iterations. iteration 5: trace = 2.795670517948602 (0.00357558% change) linmin: converged after 5 iterations. iteration 6: trace = 2.795637812105357 (0.00116988% change) linmin: converged after 5 iterations. iteration 7: trace = 2.795631405060591 (0.00022918% change) linmin: converged after 2 iterations. iteration 8: trace = 2.795630929521838 (1.70101e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.795630880408565 (1.75679e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.795630872968428 (2.66134e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.795630871760073 (4.3223e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.795630871631208 (4.60951e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.79563087161296 (6.52735e-10% change) linmin: converged after 9 iterations. iteration 14: trace = 2.795630871602821 (3.62689e-10% change) linmin: converged after 4 iterations. iteration 15: trace = 2.795630871598374 (1.59058e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 2.795630871597671 (2.5162e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.114967, 0.372435, 0.488376, 0.510297, 0.634188, 0.687769, 0.745313, 0.845031 elapsed time for k point: 0.10505557060241699 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 9 iterations. iteration 1: trace = 2.774998560215885 (0.956829% change) linmin: converged after 4 iterations. iteration 2: trace = 2.772244894227236 (0.0992805% change) linmin: converged after 5 iterations. iteration 3: trace = 2.771711795790375 (0.0192317% change) linmin: converged after 5 iterations. iteration 4: trace = 2.771603071908644 (0.0039227% change) linmin: converged after 5 iterations. iteration 5: trace = 2.77157333986107 (0.00107274% change) linmin: converged after 4 iterations. iteration 6: trace = 2.771567875220617 (0.000197168% change) linmin: converged after 4 iterations. iteration 7: trace = 2.771565848864933 (7.31123e-05% change) linmin: converged after 23 iterations. iteration 8: trace = 2.771565436133743 (1.48916e-05% change) linmin: converged after 2 iterations. iteration 9: trace = 2.771565393911649 (1.5234e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.771565390637125 (1.18147e-07% change) linmin: converged after 3 iterations. iteration 11: trace = 2.771565390406327 (8.32735e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.771565390385135 (7.6462e-10% change) linmin: converged after 5 iterations. iteration 13: trace = 2.771565390382112 (1.09069e-10% change) linmin: converged after 2 iterations. iteration 14: trace = 2.771565390381668 (1.6007e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.169005, 0.346637, 0.484408, 0.520098, 0.618254, 0.692346, 0.770438, 0.813964 elapsed time for k point: 0.08565759658813477 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.76986289767915 (0.914068% change) linmin: converged after 4 iterations. iteration 2: trace = 2.7662366764232 (0.131003% change) linmin: converged after 4 iterations. iteration 3: trace = 2.764990799331567 (0.0450488% change) linmin: converged after 4 iterations. iteration 4: trace = 2.764690915212057 (0.0108463% change) linmin: converged after 5 iterations. iteration 5: trace = 2.764623520243719 (0.00243773% change) linmin: converged after 5 iterations. iteration 6: trace = 2.764618233702739 (0.000191221% change) linmin: converged after 3 iterations. iteration 7: trace = 2.764617446459626 (2.84757e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 2.764617148488824 (1.0778e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 2.764617097736615 (1.83578e-06% change) linmin: converged after 2 iterations. iteration 10: trace = 2.764617094306763 (1.24062e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.764617094122716 (6.65725e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.764617094109743 (4.69258e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76461709410778 (7.09999e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.217539, 0.316063, 0.481302, 0.523954, 0.612544, 0.695969, 0.784104, 0.798008 elapsed time for k point: 0.08623766899108887 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.776059205793774 (0.931493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.769429886165129 (0.239089% change) linmin: converged after 5 iterations. iteration 3: trace = 2.766409470118905 (0.109122% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76565530954431 (0.0272651% change) linmin: converged after 4 iterations. iteration 5: trace = 2.765522422981642 (0.004805% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765515118332745 (0.000264133% change) linmin: converged after 10 iterations. iteration 7: trace = 2.765514720941248 (1.43695e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765514678058566 (1.55062e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 2.765514659876092 (6.57472e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765514655313923 (1.64966e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765514654640203 (2.43615e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765514654454889 (6.7009e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.76551465439036 (2.33334e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.765514654376136 (5.14325e-10% change) linmin: converged after 2 iterations. iteration 15: trace = 2.765514654374652 (5.36501e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.246221, 0.2936, 0.480139, 0.524322, 0.612077, 0.697337, 0.77948, 0.802954 elapsed time for k point: 0.09283924102783203 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.767583432193024 (0.36764% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766063309127015 (0.0549411% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76572899258955 (0.0120871% change) linmin: converged after 4 iterations. iteration 4: trace = 2.765669394833952 (0.00215489% change) linmin: converged after 6 iterations. iteration 5: trace = 2.765658289765336 (0.000401534% change) linmin: converged after 5 iterations. iteration 6: trace = 2.765656674101838 (5.84188e-05% change) linmin: converged after 6 iterations. iteration 7: trace = 2.765656191162027 (1.7462e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.765656108679672 (2.98238e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.765656098612789 (3.63996e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765656097543772 (3.86533e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765656097432821 (4.01172e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.765656097370315 (2.26008e-09% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76565609734533 (9.03415e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 2.765656097342629 (9.76443e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.247714, 0.293902, 0.474174, 0.530395, 0.610517, 0.697722, 0.778384, 0.803945 elapsed time for k point: 0.08592057228088379 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.76828002496966 (0.361641% change) linmin: converged after 4 iterations. iteration 2: trace = 2.766861173313224 (0.051267% change) linmin: converged after 4 iterations. iteration 3: trace = 2.76653878249722 (0.0116525% change) linmin: converged after 5 iterations. iteration 4: trace = 2.766463876994901 (0.00270759% change) linmin: converged after 4 iterations. iteration 5: trace = 2.766444675349486 (0.000694089% change) linmin: converged after 5 iterations. iteration 6: trace = 2.766441155889404 (0.00012722% change) linmin: converged after 5 iterations. iteration 7: trace = 2.766440488279491 (2.41324e-05% change) linmin: converged after 4 iterations. iteration 8: trace = 2.766440405119586 (3.00603e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766440395785974 (3.37387e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.766440394337008 (5.23766e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766440393560162 (2.80811e-08% change) linmin: converged after 2 iterations. iteration 12: trace = 2.76644039313326 (1.54315e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766440393061447 (2.59585e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.76644039305401 (2.68819e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766440393053365 (2.33086e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.252117, 0.294341, 0.462144, 0.543033, 0.606057, 0.698701, 0.775411, 0.806864 elapsed time for k point: 0.10063719749450684 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.770564095893328 (0.348247% change) linmin: converged after 4 iterations. iteration 2: trace = 2.76931008042447 (0.0452723% change) linmin: converged after 5 iterations. iteration 3: trace = 2.769019050829584 (0.0105097% change) linmin: converged after 9 iterations. iteration 4: trace = 2.768934648753342 (0.00304813% change) linmin: converged after 5 iterations. iteration 5: trace = 2.768909972394437 (0.00089119% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76890656309236 (0.000123128% change) linmin: converged after 5 iterations. iteration 7: trace = 2.768906106159755 (1.65023e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.76890604289365 (2.28488e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.76890602455087 (6.62456e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.768906007868233 (6.02499e-07% change) linmin: converged after 9 iterations. iteration 11: trace = 2.768905997652202 (3.68955e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 2.768905996400177 (4.52173e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.768905996267474 (4.79261e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.768905996251331 (5.83013e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.768905996249788 (5.57336e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.259212, 0.293544, 0.450321, 0.556823, 0.599242, 0.699858, 0.771489, 0.811554 elapsed time for k point: 0.08897566795349121 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 2.775951451394892 (0.330999% change) linmin: converged after 4 iterations. iteration 2: trace = 2.774883098720279 (0.0384934% change) linmin: converged after 5 iterations. iteration 3: trace = 2.774640612554751 (0.00873899% change) linmin: converged after 5 iterations. iteration 4: trace = 2.77456099507157 (0.00286951% change) linmin: converged after 5 iterations. iteration 5: trace = 2.774534593258473 (0.000951572% change) linmin: converged after 5 iterations. iteration 6: trace = 2.774531225311689 (0.000121388% change) linmin: converged after 5 iterations. iteration 7: trace = 2.77453070076803 (1.89057e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 2.7745303594983 (1.23001e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 2.774529863123143 (1.78904e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 2.774529580681455 (1.01798e-05% change) linmin: converged after 17 iterations. iteration 11: trace = 2.774529533963527 (1.68381e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 2.774529531015568 (1.06251e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 2.774529530846425 (6.09627e-09% change) linmin: converged after 2 iterations. iteration 14: trace = 2.774529530829859 (5.97101e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.774529530826867 (1.07816e-10% change) linmin: converged after 6 iterations. iteration 16: trace = 2.774529530826193 (2.4313e-11% change) Finished solving for bands 1 to 8 after 16 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.268674, 0.289451, 0.441996, 0.569747, 0.590701, 0.700763, 0.768006, 0.817777 elapsed time for k point: 0.10445022583007812 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 2.786010010558214 (0.314216% change) linmin: converged after 4 iterations. iteration 2: trace = 2.785094864088619 (0.0328533% change) linmin: converged after 4 iterations. iteration 3: trace = 2.784890622949262 (0.00733363% change) linmin: converged after 5 iterations. iteration 4: trace = 2.784815529272439 (0.0026965% change) linmin: converged after 5 iterations. iteration 5: trace = 2.784783018960979 (0.00116742% change) linmin: converged after 6 iterations. iteration 6: trace = 2.784775033132307 (0.000286767% change) linmin: converged after 5 iterations. iteration 7: trace = 2.784767387040601 (0.000274568% change) large trace change predicted (0.00145949%) linmin: converged after 4 iterations. iteration 8: trace = 2.784726863705416 (0.00145519% change) large trace change predicted (0.00560839%) linmin: converged after 6 iterations. iteration 9: trace = 2.784576806706098 (0.00538872% change) linmin: converged after 5 iterations. iteration 10: trace = 2.784434566582967 (0.00510827% change) linmin: converged after 3 iterations. iteration 11: trace = 2.784406387945227 (0.00101201% change) linmin: converged after 3 iterations. iteration 12: trace = 2.784404398152179 (7.1462e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 2.784404189729956 (7.48534e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 2.78440415106141 (1.38875e-06% change) linmin: converged after 25 iterations. iteration 15: trace = 2.784404143391648 (2.75454e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 2.784404142114112 (4.58818e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 2.784404141807702 (1.10045e-08% change) linmin: converged after 2 iterations. iteration 18: trace = 2.784404141512631 (1.05973e-08% change) large trace change predicted (3.91071e-08%) linmin: converged after 13 iterations. iteration 19: trace = 2.784404140423732 (3.91071e-08% change) linmin: converged after 19 iterations. iteration 20: trace = 2.784404138303259 (7.61553e-08% change) linmin: converged after 2 iterations. iteration 21: trace = 2.78440413567283 (9.44701e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 2.784404132526765 (1.12989e-07% change) linmin: converged after 2 iterations. iteration 23: trace = 2.784404131138651 (4.98532e-08% change) linmin: converged after 2 iterations. iteration 24: trace = 2.784404130765973 (1.33845e-08% change) linmin: converged after 3 iterations. iteration 25: trace = 2.784404130704082 (2.22279e-09% change) linmin: converged after 3 iterations. iteration 26: trace = 2.784404130699125 (1.78041e-10% change) linmin: converged after 4 iterations. iteration 27: trace = 2.784404130698568 (1.99843e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.280092, 0.280155, 0.439082, 0.58087, 0.581035, 0.701106, 0.766461, 0.825015 elapsed time for k point: 0.16550707817077637 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.77275399721332 (1.31493% change) linmin: converged after 5 iterations. iteration 2: trace = 2.767398262717903 (0.193343% change) linmin: converged after 4 iterations. iteration 3: trace = 2.766394048706148 (0.0362939% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76629435931601 (0.00360365% change) linmin: converged after 5 iterations. iteration 5: trace = 2.766278312431585 (0.000580088% change) linmin: converged after 5 iterations. iteration 6: trace = 2.76627605571663 (8.15795e-05% change) linmin: converged after 4 iterations. iteration 7: trace = 2.766275726375514 (1.19056e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.766275697025943 (1.06098e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.766275694526924 (9.03387e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 2.76627569428374 (8.79103e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 2.766275694243459 (1.45613e-09% change) linmin: converged after 2 iterations. iteration 12: trace = 2.766275694206311 (1.34287e-09% change) linmin: converged after 2 iterations. iteration 13: trace = 2.766275694188479 (6.4462e-10% change) linmin: converged after 6 iterations. iteration 14: trace = 2.766275694185662 (1.01845e-10% change) linmin: converged after 3 iterations. iteration 15: trace = 2.766275694185344 (1.14944e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.244445, 0.307226, 0.448708, 0.559739, 0.597235, 0.699583, 0.773933, 0.80772 elapsed time for k point: 0.09727096557617188 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.77149286581312 (1.30013% change) linmin: converged after 5 iterations. iteration 2: trace = 2.766681096222237 (0.173767% change) linmin: converged after 4 iterations. iteration 3: trace = 2.765870731016941 (0.0292944% change) linmin: converged after 4 iterations. iteration 4: trace = 2.76578435790659 (0.00312287% change) linmin: converged after 4 iterations. iteration 5: trace = 2.76576896412909 (0.000556581% change) linmin: converged after 6 iterations. iteration 6: trace = 2.76576691356746 (7.41408e-05% change) linmin: converged after 5 iterations. iteration 7: trace = 2.765766616476074 (1.07417e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.765766581509603 (1.26426e-06% change) linmin: converged after 3 iterations. iteration 9: trace = 2.765766575906306 (2.02595e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.765766575033984 (3.154e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.765766574972649 (2.21763e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 2.765766574968937 (1.34217e-10% change) linmin: converged after 3 iterations. iteration 13: trace = 2.76576657496863 (1.10951e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.192601, 0.336978, 0.467722, 0.538055, 0.609757, 0.695231, 0.77985, 0.802206 elapsed time for k point: 0.08311820030212402 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 6 iterations. iteration 1: trace = 2.791470836862398 (1.28311% change) linmin: converged after 5 iterations. iteration 2: trace = 2.787458714099723 (0.143831% change) linmin: converged after 4 iterations. iteration 3: trace = 2.78692603308995 (0.0191117% change) linmin: converged after 4 iterations. iteration 4: trace = 2.786856117715398 (0.00250872% change) linmin: converged after 5 iterations. iteration 5: trace = 2.786833391429703 (0.000815484% change) linmin: converged after 5 iterations. iteration 6: trace = 2.786827001476857 (0.000229291% change) linmin: converged after 6 iterations. iteration 7: trace = 2.786825618414127 (4.96286e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 2.786825460368142 (5.67118e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 2.786825447118284 (4.75446e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 2.786825446092698 (3.68012e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 2.786825446011258 (2.92231e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 2.786825446005849 (1.94108e-10% change) linmin: converged after 4 iterations. iteration 13: trace = 2.786825446005419 (1.54254e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.132075, 0.365778, 0.483253, 0.517524, 0.627555, 0.689432, 0.753492, 0.835064 elapsed time for k point: 0.08668899536132812 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 8 iterations. iteration 1: trace = 2.834933245505366 (1.30701% change) linmin: converged after 3 iterations. iteration 2: trace = 2.830403965065332 (0.159894% change) linmin: converged after 4 iterations. iteration 3: trace = 2.829621813628175 (0.0276377% change) linmin: converged after 4 iterations. iteration 4: trace = 2.829419384307018 (0.00715419% change) linmin: converged after 5 iterations. iteration 5: trace = 2.829342538493453 (0.00271599% change) linmin: converged after 5 iterations. iteration 6: trace = 2.82930572621851 (0.0013011% change) linmin: converged after 6 iterations. iteration 7: trace = 2.829276325559083 (0.00103915% change) linmin: converged after 5 iterations. iteration 8: trace = 2.829270956342432 (0.000189774% change) linmin: converged after 4 iterations. iteration 9: trace = 2.829270335813132 (2.19325e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 2.829270284334401 (1.81951e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 2.829270280435277 (1.37814e-07% change) linmin: converged after 3 iterations. iteration 12: trace = 2.829270280036006 (1.41121e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 2.829270279947548 (3.12655e-09% change) linmin: converged after 3 iterations. iteration 14: trace = 2.829270279913449 (1.20522e-09% change) linmin: converged after 11 iterations. iteration 15: trace = 2.82927027989919 (5.03975e-10% change) linmin: converged after 7 iterations. iteration 16: trace = 2.829270279889812 (3.31473e-10% change) linmin: converged after 3 iterations. iteration 17: trace = 2.829270279885793 (1.42035e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 2.829270279885341 (1.59631e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0670312, 0.388874, 0.490908, 0.500671, 0.654295, 0.684452, 0.721561, 0.874451 elapsed time for k point: 0.11141347885131836 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 7 iterations. iteration 1: trace = 2.886141685835956 (1.47203% change) linmin: converged after 5 iterations. iteration 2: trace = 2.874303792321654 (0.411006% change) linmin: converged after 12 iterations. iteration 3: trace = 2.867461048283285 (0.23835% change) linmin: converged after 4 iterations. iteration 4: trace = 2.86397233934153 (0.121739% change) linmin: converged after 4 iterations. iteration 5: trace = 2.863259526579745 (0.0248921% change) linmin: converged after 3 iterations. iteration 6: trace = 2.863087260462697 (0.00601661% change) linmin: converged after 4 iterations. iteration 7: trace = 2.862987569164019 (0.00348201% change) large trace change predicted (0.0075076%) linmin: converged after 5 iterations. iteration 8: trace = 2.862770998312602 (0.00756479% change) linmin: converged after 4 iterations. iteration 9: trace = 2.862591893269431 (0.00625655% change) linmin: converged after 4 iterations. iteration 10: trace = 2.862540772328795 (0.00178584% change) linmin: converged after 4 iterations. iteration 11: trace = 2.862503519861274 (0.00130139% change) linmin: converged after 10 iterations. iteration 12: trace = 2.862492614384059 (0.000380978% change) linmin: converged after 4 iterations. iteration 13: trace = 2.862491127238346 (5.19528e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 2.862490902676318 (7.84499e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 2.862490848354844 (1.8977e-06% change) linmin: converged after 5 iterations. iteration 16: trace = 2.862490815153666 (1.15987e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 2.862490774134773 (1.43298e-06% change) linmin: converged after 2 iterations. iteration 18: trace = 2.862490747516468 (9.299e-07% change) linmin: converged after 2 iterations. iteration 19: trace = 2.862490726725277 (7.26332e-07% change) linmin: converged after 28 iterations. iteration 20: trace = 2.862490701040741 (8.97279e-07% change) linmin: converged after 3 iterations. iteration 21: trace = 2.862490690405778 (3.71528e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 2.862490688920428 (5.18901e-08% change) linmin: converged after 8 iterations. iteration 23: trace = 2.86249068872468 (6.83836e-09% change) linmin: converged after 19 iterations. iteration 24: trace = 2.862490688677492 (1.64851e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 2.862490688650855 (9.30535e-10% change) linmin: converged after 3 iterations. iteration 26: trace = 2.86249068864038 (3.65962e-10% change) linmin: converged after 3 iterations. iteration 27: trace = 2.862490688636751 (1.2675e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 2.862490688630886 (2.0491e-10% change) linmin: converged after 5 iterations. iteration 29: trace = 2.862490688622828 (2.81503e-10% change) linmin: converged after 3 iterations. iteration 30: trace = 2.862490688619476 (1.171e-10% change) linmin: converged after 8 iterations. iteration 31: trace = 2.86249068861861 (3.02369e-11% change) Finished solving for bands 2 to 8 after 31 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.398513, 0.492888, 0.493368, 0.682486, 0.682532, 0.692015, 0.898224 .elapsed time for k point: 0.15668606758117676 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2800915681739989 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.2801552391378438 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.3985126081046674 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4390817228448603 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.49288810189980675 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.4933684778826866 at Vector3<0.0, 0.0, 0.0> to 0.5808701365268195 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.5810352468043717 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.6824860801372995 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.6825317446714997 at Vector3<0.0, 0.0, 0.0> to 0.7011061593213788 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 7 range: 0.6920145742134777 at Vector3<0.0, 0.0, 0.0> to 0.7841042622393077 at Vector3<0.0, 0.4, 0.0> Band 8 range: 0.7980077872594105 at Vector3<0.0, 0.4, 0.0> to 0.8982239424823445 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2800915681739989) to band 2 (0.2801552391378438), 0.022729612382946834% Gap from band 2 (0.3985126081046674) to band 3 (0.4390817228448603), 9.687055712089714% Gap from band 3 (0.49288810189980675) to band 4 (0.4933684778826866), 0.09741399808674674% Gap from band 4 (0.5808701365268195) to band 5 (0.5810352468043717), 0.028420606345552754% Gap from band 5 (0.6824860801372995) to band 6 (0.6825317446714997), 0.006690686871665024% Gap from band 7 (0.7841042622393077) to band 8 (0.7980077872594105), 1.7575904341930733% total elapsed time for run: 1.7411973476409912 done /tmp/meepakjAzV/test_tri_holes-0: 5.43s /tmp/meepakjAzV/test_tri_rods-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.009546279907226562 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.11989068984985352 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.10997986793518066 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.09212756156921387 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.09352827072143555 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.07766056060791016 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.0814507007598877 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.07420611381530762 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.08238577842712402 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.06377887725830078 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.059973955154418945 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.060321807861328125 Fixing e-field (band 1) phase by -1 + 4.11973e-08i; max ampl. = 0.93911 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b01.z.tm.h5... Fixing e-field (band 2) phase by -4.11973e-08 + -1i; max ampl. = 1.08316 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b02.z.tm.h5... Fixing e-field (band 3) phase by 1 + -4.11973e-08i; max ampl. = 0.877953 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b03.z.tm.h5... Fixing e-field (band 4) phase by 1 + -4.11974e-08i; max ampl. = 1.24657 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b04.z.tm.h5... Fixing e-field (band 5) phase by 4.11973e-08 + 1i; max ampl. = 1.10168 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b05.z.tm.h5... Fixing e-field (band 6) phase by -1 + 4.11972e-08i; max ampl. = 1.76186 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b06.z.tm.h5... Fixing e-field (band 7) phase by -1 + 4.11973e-08i; max ampl. = 1.0881 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b07.z.tm.h5... Fixing e-field (band 8) phase by -1 + 4.11972e-08i; max ampl. = 1.08096 Outputting fields to /tmp/meepakjAzV/test_tri_rods-0-e.k11.b08.z.tm.h5... solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861227 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957312 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510743 (0.000784095% change) linmin: converged after 5 iterations. iteration 5: trace = 4.197854429378011 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525583 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380287 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.197854050317016 (2.34224e-09% change) linmin: converged after 3 iterations. iteration 10: trace = 4.197854050309859 (1.7049e-10% change) linmin: converged after 3 iterations. iteration 11: trace = 4.1978540503093 (1.33083e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.06674909591674805 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338974 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011073 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283281438838011 (0.00210466% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 7 iterations. iteration 6: trace = 4.28326657937046 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834247 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102651 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093189 (2.35676e-08% change) linmin: converged after 3 iterations. iteration 10: trace = 4.283266489000646 (2.16059e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.283266488991158 (2.21502e-10% change) linmin: converged after 11 iterations. iteration 12: trace = 4.283266488990683 (1.10938e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.07845902442932129 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060165 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164763 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 13 iterations. iteration 5: trace = 4.410114427040234 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016636 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309537 (3.71634e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815385 (5.65554e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.410102274561973 (5.74616e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.410102274546353 (3.54196e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.410102274545237 (2.53155e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.08680415153503418 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101673 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.544560398258617 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323376 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319919 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553309 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 5 iterations. iteration 7: trace = 4.534520999244495 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738526 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347481 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618732 (7.91744e-08% change) linmin: converged after 8 iterations. iteration 14: trace = 4.534517622906264 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781556 (2.7502e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.53451762276076 (4.58611e-10% change) linmin: converged after 8 iterations. iteration 17: trace = 4.5345176227572 (7.85245e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.1037142276763916 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082276254 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477331197 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234815 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379737 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189929 (0.00557828% change) linmin: converged after 16 iterations. iteration 6: trace = 4.577915173102078 (0.000900408% change) linmin: converged after 8 iterations. iteration 7: trace = 4.577900193794617 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955983 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564553 (2.15468e-05% change) linmin: converged after 10 iterations. iteration 10: trace = 4.577894647524367 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981888 (3.39512e-07% change) linmin: converged after 7 iterations. iteration 12: trace = 4.577894627560067 (9.65907e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.577894626684431 (1.91275e-08% change) linmin: converged after 7 iterations. iteration 14: trace = 4.577894626586341 (2.1427e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573657 (2.77072e-10% change) linmin: converged after 3 iterations. iteration 16: trace = 4.577894626572483 (2.56293e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.08588385581970215 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797742 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585134 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797742) to band 4 (0.5932960873585134), 5.674064623694974% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 1.375537633895874 done Read lattice vectors Read Bloch wavevector (-0.333333, 0.333333, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: -1.03932 .. 1.03493 imag part range: -1.08496 .. 1.08496 Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Solving for band polarization: te. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0015156269073486328 solve_kpoint (0,0,0): tefreqs:, k index, k1, k2, k3, kmag/2pi, te band 1, te band 2, te band 3, te band 4, te band 5, te band 6, te band 7, te band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 9 iterations. iteration 1: trace = 17.36160904168523 (195.027% change) linmin: converged after 7 iterations. iteration 2: trace = 7.562476866233164 (78.6318% change) linmin: converged after 5 iterations. iteration 3: trace = 6.689988797283942 (12.2433% change) linmin: converged after 4 iterations. iteration 4: trace = 6.443872873233596 (3.74781% change) linmin: converged after 7 iterations. iteration 5: trace = 6.353949184309336 (1.4053% change) linmin: converged after 4 iterations. iteration 6: trace = 6.308924004687213 (0.711137% change) linmin: converged after 5 iterations. iteration 7: trace = 6.270403953073519 (0.612434% change) linmin: converged after 4 iterations. iteration 8: trace = 6.245962911349093 (0.390545% change) linmin: converged after 4 iterations. iteration 9: trace = 6.231123952690525 (0.237859% change) linmin: converged after 4 iterations. iteration 10: trace = 6.222648387566821 (0.136112% change) linmin: converged after 4 iterations. iteration 11: trace = 6.218459085006945 (0.0673461% change) linmin: converged after 4 iterations. iteration 12: trace = 6.215474845128731 (0.0480015% change) linmin: converged after 4 iterations. iteration 13: trace = 6.213476033896002 (0.0321638% change) linmin: converged after 4 iterations. iteration 14: trace = 6.211799733839418 (0.0269821% change) linmin: converged after 4 iterations. iteration 15: trace = 6.210166322657484 (0.0262988% change) linmin: converged after 4 iterations. iteration 16: trace = 6.208765013189226 (0.0225673% change) linmin: converged after 3 iterations. iteration 17: trace = 6.20745864212499 (0.021043% change) linmin: converged after 3 iterations. iteration 18: trace = 6.206496965898328 (0.0154935% change) linmin: converged after 4 iterations. iteration 19: trace = 6.205910205793511 (0.00945441% change) linmin: converged after 4 iterations. iteration 20: trace = 6.205612235735023 (0.00480151% change) linmin: converged after 4 iterations. iteration 21: trace = 6.205499078041604 (0.00182349% change) linmin: converged after 4 iterations. iteration 22: trace = 6.205434445474109 (0.00104154% change) linmin: converged after 4 iterations. iteration 23: trace = 6.205390974318142 (0.000700536% change) linmin: converged after 4 iterations. iteration 24: trace = 6.205367423163241 (0.000379528% change) linmin: converged after 4 iterations. iteration 25: trace = 6.205356899945473 (0.000169583% change) linmin: converged after 4 iterations. iteration 26: trace = 6.205352210725811 (7.55673e-05% change) linmin: converged after 5 iterations. iteration 27: trace = 6.205348781520899 (5.52621e-05% change) linmin: converged after 5 iterations. iteration 28: trace = 6.205345652519164 (5.04243e-05% change) linmin: converged after 5 iterations. iteration 29: trace = 6.205343137714785 (4.05264e-05% change) linmin: converged after 5 iterations. iteration 30: trace = 6.205341359594259 (2.86547e-05% change) linmin: converged after 4 iterations. iteration 31: trace = 6.205340285757588 (1.7305e-05% change) linmin: converged after 4 iterations. iteration 32: trace = 6.20533940186276 (1.42441e-05% change) linmin: converged after 5 iterations. iteration 33: trace = 6.205338538782249 (1.39087e-05% change) linmin: converged after 5 iterations. iteration 34: trace = 6.205338005701472 (8.59068e-06% change) linmin: converged after 12 iterations. iteration 35: trace = 6.205337792804401 (3.43087e-06% change) linmin: converged after 2 iterations. iteration 36: trace = 6.205337727926739 (1.04551e-06% change) linmin: converged after 2 iterations. iteration 37: trace = 6.205337700663021 (4.39359e-07% change) linmin: converged after 2 iterations. iteration 38: trace = 6.205337682075854 (2.99535e-07% change) linmin: converged after 2 iterations. iteration 39: trace = 6.205337670235149 (1.90815e-07% change) linmin: converged after 16 iterations. iteration 40: trace = 6.205337663603182 (1.06875e-07% change) linmin: converged after 17 iterations. iteration 41: trace = 6.205337659444976 (6.70102e-08% change) linmin: converged after 2 iterations. iteration 42: trace = 6.205337656270723 (5.11536e-08% change) linmin: converged after 3 iterations. iteration 43: trace = 6.205337653590539 (4.31916e-08% change) linmin: converged after 2 iterations. iteration 44: trace = 6.205337651674612 (3.08755e-08% change) linmin: converged after 11 iterations. iteration 45: trace = 6.205337650112214 (2.51783e-08% change) linmin: converged after 3 iterations. iteration 46: trace = 6.205337648922311 (1.91755e-08% change) linmin: converged after 3 iterations. iteration 47: trace = 6.205337648157427 (1.23262e-08% change) linmin: converged after 11 iterations. iteration 48: trace = 6.205337647646608 (8.23193e-09% change) linmin: converged after 4 iterations. iteration 49: trace = 6.205337647357136 (4.66488e-09% change) linmin: converged after 3 iterations. iteration 50: trace = 6.205337647220228 (2.2063e-09% change) linmin: converged after 7 iterations. iteration 51: trace = 6.205337647170962 (7.93921e-10% change) linmin: converged after 5 iterations. iteration 52: trace = 6.205337647152469 (2.98014e-10% change) linmin: converged after 4 iterations. iteration 53: trace = 6.205337647143446 (1.45421e-10% change) linmin: converged after 3 iterations. iteration 54: trace = 6.205337647136502 (1.119e-10% change) linmin: converged after 3 iterations. iteration 55: trace = 6.20533764713018 (1.01881e-10% change) linmin: converged after 2 iterations. iteration 56: trace = 6.205337647125866 (6.95189e-11% change) Finished solving for bands 2 to 8 after 56 iterations. tefreqs:, 1, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.27500128746032715 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 6.158539024420285 (1.66275% change) linmin: converged after 4 iterations. iteration 2: trace = 6.098032659807416 (0.987329% change) linmin: converged after 4 iterations. iteration 3: trace = 6.081903131798306 (0.264854% change) linmin: converged after 4 iterations. iteration 4: trace = 6.0743767056313 (0.123828% change) linmin: converged after 4 iterations. iteration 5: trace = 6.072216470542617 (0.0355694% change) linmin: converged after 3 iterations. iteration 6: trace = 6.071224930874287 (0.0163305% change) linmin: converged after 4 iterations. iteration 7: trace = 6.070791668858648 (0.00713657% change) linmin: converged after 4 iterations. iteration 8: trace = 6.070592820913727 (0.00327554% change) linmin: converged after 3 iterations. iteration 9: trace = 6.070504835682327 (0.00144938% change) linmin: converged after 3 iterations. iteration 10: trace = 6.070476174703718 (0.000472136% change) linmin: converged after 4 iterations. iteration 11: trace = 6.070466776951306 (0.000154811% change) linmin: converged after 4 iterations. iteration 12: trace = 6.070462362656812 (7.27176e-05% change) linmin: converged after 4 iterations. iteration 13: trace = 6.070460758493462 (2.64257e-05% change) linmin: converged after 4 iterations. iteration 14: trace = 6.070460318551028 (7.24727e-06% change) linmin: converged after 5 iterations. iteration 15: trace = 6.070460193420171 (2.06131e-06% change) linmin: converged after 4 iterations. iteration 16: trace = 6.070460137715083 (9.17642e-07% change) linmin: converged after 4 iterations. iteration 17: trace = 6.070460108900737 (4.74665e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 6.070460095276794 (2.2443e-07% change) linmin: converged after 13 iterations. iteration 19: trace = 6.070460086895674 (1.38064e-07% change) linmin: converged after 3 iterations. iteration 20: trace = 6.070460079863565 (1.15841e-07% change) linmin: converged after 21 iterations. iteration 21: trace = 6.070460075401996 (7.34964e-08% change) linmin: converged after 2 iterations. iteration 22: trace = 6.07046007280923 (4.27112e-08% change) linmin: converged after 22 iterations. iteration 23: trace = 6.070460071630645 (1.94151e-08% change) linmin: converged after 3 iterations. iteration 24: trace = 6.070460071141092 (8.06452e-09% change) linmin: converged after 3 iterations. iteration 25: trace = 6.070460070886771 (4.18948e-09% change) linmin: converged after 17 iterations. iteration 26: trace = 6.070460070770777 (1.9108e-09% change) linmin: converged after 19 iterations. iteration 27: trace = 6.070460070719212 (8.49426e-10% change) linmin: converged after 15 iterations. iteration 28: trace = 6.070460070698457 (3.41915e-10% change) linmin: converged after 4 iterations. iteration 29: trace = 6.070460070686249 (2.01105e-10% change) linmin: converged after 6 iterations. iteration 30: trace = 6.070460070677964 (1.36479e-10% change) linmin: converged after 7 iterations. iteration 31: trace = 6.070460070673303 (7.67843e-11% change) Finished solving for bands 1 to 8 after 31 iterations. tefreqs:, 2, 0, 0.1, 0, 0.11547, 0.101865, 0.559805, 0.79146, 0.793258, 0.992126, 1.02845, 1.09799, 1.1151 elapsed time for k point: 0.18970561027526855 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.879585450105075 (0.610248% change) linmin: converged after 4 iterations. iteration 2: trace = 5.864179164990823 (0.262374% change) linmin: converged after 3 iterations. iteration 3: trace = 5.859434248091473 (0.0809463% change) linmin: converged after 4 iterations. iteration 4: trace = 5.85734339458572 (0.0356899% change) linmin: converged after 3 iterations. iteration 5: trace = 5.856604562107861 (0.0126146% change) linmin: converged after 3 iterations. iteration 6: trace = 5.856366774447974 (0.00406024% change) linmin: converged after 3 iterations. iteration 7: trace = 5.856287811142867 (0.00134834% change) linmin: converged after 4 iterations. iteration 8: trace = 5.8562580469796 (0.000508244% change) linmin: converged after 3 iterations. iteration 9: trace = 5.856247804313772 (0.000174901% change) linmin: converged after 4 iterations. iteration 10: trace = 5.85624293285553 (8.3184e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.856240727525849 (3.76578e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.856239109988362 (2.76208e-05% change) linmin: converged after 5 iterations. iteration 13: trace = 5.856238145767128 (1.64649e-05% change) linmin: converged after 2 iterations. iteration 14: trace = 5.856237866910514 (4.7617e-06% change) linmin: converged after 3 iterations. iteration 15: trace = 5.856237777124198 (1.53317e-06% change) linmin: converged after 9 iterations. iteration 16: trace = 5.856237751868005 (4.3127e-07% change) linmin: converged after 14 iterations. iteration 17: trace = 5.856237743987796 (1.34561e-07% change) linmin: converged after 4 iterations. iteration 18: trace = 5.856237740787504 (5.46476e-08% change) linmin: converged after 7 iterations. iteration 19: trace = 5.856237739089932 (2.89874e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.856237737682887 (2.40264e-08% change) linmin: converged after 4 iterations. iteration 21: trace = 5.856237736546375 (1.94069e-08% change) linmin: converged after 4 iterations. iteration 22: trace = 5.856237735790081 (1.29143e-08% change) linmin: converged after 12 iterations. iteration 23: trace = 5.856237735217746 (9.77308e-09% change) linmin: converged after 5 iterations. iteration 24: trace = 5.856237734948408 (4.59917e-09% change) linmin: converged after 6 iterations. iteration 25: trace = 5.85623773479514 (2.61718e-09% change) linmin: converged after 2 iterations. iteration 26: trace = 5.856237734734318 (1.03858e-09% change) linmin: converged after 7 iterations. iteration 27: trace = 5.8562377347143 (3.4182e-10% change) linmin: converged after 3 iterations. iteration 28: trace = 5.856237734707856 (1.10047e-10% change) linmin: converged after 3 iterations. iteration 29: trace = 5.856237734706174 (2.87099e-11% change) Finished solving for bands 1 to 8 after 29 iterations. tefreqs:, 3, 0, 0.2, 0, 0.23094, 0.202662, 0.555133, 0.784265, 0.784932, 0.925328, 1.01804, 1.06979, 1.11298 elapsed time for k point: 0.17399239540100098 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.688335296912762 (0.327793% change) linmin: converged after 4 iterations. iteration 2: trace = 5.682021917679271 (0.11105% change) linmin: converged after 3 iterations. iteration 3: trace = 5.680153605103612 (0.0328865% change) linmin: converged after 4 iterations. iteration 4: trace = 5.679577245559956 (0.0101474% change) linmin: converged after 4 iterations. iteration 5: trace = 5.679381210031131 (0.00345165% change) linmin: converged after 4 iterations. iteration 6: trace = 5.679338397146944 (0.000753833% change) linmin: converged after 3 iterations. iteration 7: trace = 5.679327009082156 (0.000200518% change) linmin: converged after 5 iterations. iteration 8: trace = 5.679321501429015 (9.69773e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.679318695796002 (4.94009e-05% change) linmin: converged after 3 iterations. iteration 10: trace = 5.679317068872693 (2.86465e-05% change) linmin: converged after 4 iterations. iteration 11: trace = 5.679316526996136 (9.54123e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.67931632497745 (3.5571e-06% change) linmin: converged after 24 iterations. iteration 13: trace = 5.679316252366132 (1.27852e-06% change) linmin: converged after 8 iterations. iteration 14: trace = 5.679316236097754 (2.8645e-07% change) linmin: converged after 5 iterations. iteration 15: trace = 5.679316231672791 (7.79137e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.679316229977098 (2.98574e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.679316229108179 (1.52997e-08% change) linmin: converged after 3 iterations. iteration 18: trace = 5.679316228341648 (1.34969e-08% change) linmin: converged after 4 iterations. iteration 19: trace = 5.679316227585913 (1.33068e-08% change) linmin: converged after 11 iterations. iteration 20: trace = 5.679316226988038 (1.05272e-08% change) linmin: converged after 12 iterations. iteration 21: trace = 5.679316226705491 (4.97502e-09% change) linmin: converged after 6 iterations. iteration 22: trace = 5.679316226637818 (1.19157e-09% change) linmin: converged after 2 iterations. iteration 23: trace = 5.679316226609474 (4.99066e-10% change) linmin: converged after 3 iterations. iteration 24: trace = 5.679316226600841 (1.52009e-10% change) linmin: converged after 3 iterations. iteration 25: trace = 5.679316226598069 (4.88088e-11% change) Finished solving for bands 1 to 8 after 25 iterations. tefreqs:, 4, 0, 0.3, 0, 0.34641, 0.300756, 0.545003, 0.752836, 0.776604, 0.881527, 1.00851, 1.04494, 1.1117 elapsed time for k point: 0.15301036834716797 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.572181213523258 (0.241977% change) linmin: converged after 4 iterations. iteration 2: trace = 5.568600925705777 (0.0642735% change) linmin: converged after 4 iterations. iteration 3: trace = 5.567657736853494 (0.0169391% change) linmin: converged after 4 iterations. iteration 4: trace = 5.567444170135015 (0.00383592% change) linmin: converged after 6 iterations. iteration 5: trace = 5.56737762049015 (0.00119534% change) linmin: converged after 3 iterations. iteration 6: trace = 5.567363512847024 (0.000253399% change) linmin: converged after 3 iterations. iteration 7: trace = 5.567360010913097 (6.29011e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.567358378549423 (2.93203e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 5.567357563479846 (1.46402e-05% change) linmin: converged after 4 iterations. iteration 10: trace = 5.567357125846613 (7.8607e-06% change) linmin: converged after 3 iterations. iteration 11: trace = 5.567356991067824 (2.42088e-06% change) linmin: converged after 10 iterations. iteration 12: trace = 5.56735695750588 (6.02834e-07% change) linmin: converged after 3 iterations. iteration 13: trace = 5.567356948843483 (1.55593e-07% change) linmin: converged after 4 iterations. iteration 14: trace = 5.56735694679832 (3.67349e-08% change) linmin: converged after 6 iterations. iteration 15: trace = 5.567356946093132 (1.26665e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.567356945636325 (8.2051e-09% change) linmin: converged after 23 iterations. iteration 17: trace = 5.567356945304206 (5.96547e-09% change) linmin: converged after 10 iterations. iteration 18: trace = 5.567356944950225 (6.35815e-09% change) linmin: converged after 13 iterations. iteration 19: trace = 5.567356944690506 (4.66504e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.567356944584955 (1.89588e-09% change) linmin: converged after 4 iterations. iteration 21: trace = 5.567356944550361 (6.21382e-10% change) linmin: converged after 4 iterations. iteration 22: trace = 5.567356944542208 (1.46436e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 5.567356944539206 (5.39222e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 5, 0, 0.4, 0, 0.46188, 0.392756, 0.521577, 0.705571, 0.77011, 0.86865, 1.00251, 1.02766, 1.11107 elapsed time for k point: 0.142348051071167 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.53273810674195 (0.208662% change) linmin: converged after 4 iterations. iteration 2: trace = 5.530094842108783 (0.0477864% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529443009715253 (0.0117877% change) linmin: converged after 4 iterations. iteration 4: trace = 5.529317903820751 (0.00226257% change) linmin: converged after 5 iterations. iteration 5: trace = 5.529282320152151 (0.000643547% change) linmin: converged after 3 iterations. iteration 6: trace = 5.529274170469025 (0.000147391% change) linmin: converged after 4 iterations. iteration 7: trace = 5.529272236624154 (3.49747e-05% change) linmin: converged after 5 iterations. iteration 8: trace = 5.529271606108956 (1.14032e-05% change) linmin: converged after 26 iterations. iteration 9: trace = 5.529271436020496 (3.07615e-06% change) linmin: converged after 3 iterations. iteration 10: trace = 5.529271373878374 (1.12388e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 5.529271337491399 (6.58079e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 5.529271320740965 (3.02941e-07% change) linmin: converged after 4 iterations. iteration 13: trace = 5.529271315549563 (9.38894e-08% change) linmin: converged after 6 iterations. iteration 14: trace = 5.529271314495562 (1.90622e-08% change) linmin: converged after 3 iterations. iteration 15: trace = 5.529271314233555 (4.73853e-09% change) linmin: converged after 2 iterations. iteration 16: trace = 5.529271314081587 (2.74843e-09% change) linmin: converged after 2 iterations. iteration 17: trace = 5.529271313980214 (1.83339e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.529271313876957 (1.86746e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.52927131377775 (1.79421e-09% change) linmin: converged after 13 iterations. iteration 20: trace = 5.529271313733426 (8.01618e-10% change) linmin: converged after 11 iterations. iteration 21: trace = 5.529271313721342 (2.18556e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.529271313719439 (3.44074e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 6, 0, 0.5, 0, 0.57735, 0.468428, 0.473072, 0.683225, 0.767661, 0.866987, 1.00052, 1.02137, 1.11088 elapsed time for k point: 0.1351451873779297 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.538985517448269 (0.141109% change) linmin: converged after 4 iterations. iteration 2: trace = 5.534550185471011 (0.0801069% change) linmin: converged after 4 iterations. iteration 3: trace = 5.53328893111629 (0.0227913% change) linmin: converged after 4 iterations. iteration 4: trace = 5.532631711818752 (0.0118783% change) linmin: converged after 4 iterations. iteration 5: trace = 5.532342815996529 (0.00522181% change) linmin: converged after 5 iterations. iteration 6: trace = 5.53223657988561 (0.00192029% change) linmin: converged after 10 iterations. iteration 7: trace = 5.532184612246406 (0.000939365% change) linmin: converged after 5 iterations. iteration 8: trace = 5.532165289409572 (0.000349281% change) linmin: converged after 6 iterations. iteration 9: trace = 5.53215699790288 (0.000149878% change) linmin: converged after 5 iterations. iteration 10: trace = 5.532154378963375 (4.73403e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.532153853741139 (9.49399e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.532153673436557 (3.25921e-06% change) linmin: converged after 3 iterations. iteration 13: trace = 5.53215362460911 (8.82612e-07% change) linmin: converged after 3 iterations. iteration 14: trace = 5.532153611036561 (2.45339e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.532153607469195 (6.44842e-08% change) linmin: converged after 3 iterations. iteration 16: trace = 5.532153606672814 (1.43955e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.53215360642539 (4.47248e-09% change) linmin: converged after 3 iterations. iteration 18: trace = 5.532153606309885 (2.08788e-09% change) linmin: converged after 7 iterations. iteration 19: trace = 5.532153606238235 (1.29516e-09% change) linmin: converged after 4 iterations. iteration 20: trace = 5.532153606171856 (1.19987e-09% change) linmin: converged after 2 iterations. iteration 21: trace = 5.532153606115745 (1.01426e-09% change) linmin: converged after 3 iterations. iteration 22: trace = 5.532153606087498 (5.10608e-10% change) linmin: converged after 4 iterations. iteration 23: trace = 5.532153606073365 (2.55465e-10% change) linmin: converged after 6 iterations. iteration 24: trace = 5.53215360606891 (8.05311e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.472654, 0.474197, 0.67604, 0.772695, 0.866879, 0.969813, 1.05066, 1.11081 elapsed time for k point: 0.14577817916870117 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.545510165467671 (0.156486% change) linmin: converged after 3 iterations. iteration 2: trace = 5.53970135058995 (0.104803% change) linmin: converged after 4 iterations. iteration 3: trace = 5.537423366333638 (0.0411295% change) linmin: converged after 4 iterations. iteration 4: trace = 5.535869635928369 (0.0280627% change) linmin: converged after 4 iterations. iteration 5: trace = 5.535105335921414 (0.0138073% change) linmin: converged after 4 iterations. iteration 6: trace = 5.53483989949765 (0.00479562% change) linmin: converged after 4 iterations. iteration 7: trace = 5.534735453565166 (0.00188708% change) linmin: converged after 4 iterations. iteration 8: trace = 5.534709296156107 (0.000472606% change) linmin: converged after 4 iterations. iteration 9: trace = 5.534699673866182 (0.000173854% change) linmin: converged after 8 iterations. iteration 10: trace = 5.534696883149076 (5.04222e-05% change) linmin: converged after 2 iterations. iteration 11: trace = 5.534696297656427 (1.05786e-05% change) linmin: converged after 2 iterations. iteration 12: trace = 5.534696086069314 (3.82292e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.534696023141974 (1.13696e-06% change) linmin: converged after 3 iterations. iteration 14: trace = 5.534696003432254 (3.56112e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.534695997023212 (1.15798e-07% change) linmin: converged after 12 iterations. iteration 16: trace = 5.534695995144546 (3.39434e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.534695994510907 (1.14485e-08% change) linmin: converged after 17 iterations. iteration 18: trace = 5.534695994207872 (5.47519e-09% change) linmin: converged after 2 iterations. iteration 19: trace = 5.534695994030399 (3.20656e-09% change) linmin: converged after 12 iterations. iteration 20: trace = 5.534695993871264 (2.87522e-09% change) linmin: converged after 8 iterations. iteration 21: trace = 5.534695993784569 (1.56638e-09% change) linmin: converged after 7 iterations. iteration 22: trace = 5.534695993753224 (5.66347e-10% change) linmin: converged after 2 iterations. iteration 23: trace = 5.534695993742776 (1.88766e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 5.534695993739176 (6.50404e-11% change) Finished solving for bands 1 to 8 after 24 iterations. tefreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.477432, 0.485081, 0.657266, 0.784802, 0.866577, 0.932933, 1.08112, 1.11059 elapsed time for k point: 0.14953970909118652 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.539951339880242 (0.178088% change) linmin: converged after 4 iterations. iteration 2: trace = 5.532912895847705 (0.12713% change) linmin: converged after 4 iterations. iteration 3: trace = 5.529976673731458 (0.0530824% change) linmin: converged after 4 iterations. iteration 4: trace = 5.528255687466732 (0.0311259% change) linmin: converged after 4 iterations. iteration 5: trace = 5.527477327141118 (0.0140807% change) linmin: converged after 3 iterations. iteration 6: trace = 5.527260627433148 (0.00392049% change) linmin: converged after 4 iterations. iteration 7: trace = 5.527174950010757 (0.0015501% change) linmin: converged after 4 iterations. iteration 8: trace = 5.527154244268933 (0.000374618% change) linmin: converged after 4 iterations. iteration 9: trace = 5.527144578125395 (0.000174885% change) linmin: converged after 2 iterations. iteration 10: trace = 5.527141353729434 (5.83375e-05% change) linmin: converged after 6 iterations. iteration 11: trace = 5.527140472049874 (1.59518e-05% change) linmin: converged after 5 iterations. iteration 12: trace = 5.527140149104516 (5.8429e-06% change) linmin: converged after 2 iterations. iteration 13: trace = 5.527140063332194 (1.55184e-06% change) linmin: converged after 16 iterations. iteration 14: trace = 5.527140039497723 (4.31226e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.527140030767502 (1.57952e-07% change) linmin: converged after 6 iterations. iteration 16: trace = 5.527140027391178 (6.10863e-08% change) linmin: converged after 2 iterations. iteration 17: trace = 5.527140025708313 (3.04473e-08% change) linmin: converged after 14 iterations. iteration 18: trace = 5.527140024739849 (1.7522e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 5.52714002424971 (8.86785e-09% change) linmin: converged after 15 iterations. iteration 20: trace = 5.527140024034408 (3.89537e-09% change) linmin: converged after 16 iterations. iteration 21: trace = 5.527140023982145 (9.45556e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.527140023969887 (2.2179e-10% change) linmin: converged after 15 iterations. iteration 23: trace = 5.527140023966947 (5.31897e-11% change) Finished solving for bands 1 to 8 after 23 iterations. tefreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.48232, 0.50501, 0.630584, 0.799745, 0.866126, 0.900465, 1.09936, 1.11024 elapsed time for k point: 0.13905119895935059 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.522657858711453 (0.154096% change) linmin: converged after 4 iterations. iteration 2: trace = 5.51765344023986 (0.0906572% change) linmin: converged after 4 iterations. iteration 3: trace = 5.515894145978647 (0.0318899% change) linmin: converged after 4 iterations. iteration 4: trace = 5.515136110127697 (0.0137437% change) linmin: converged after 5 iterations. iteration 5: trace = 5.514757022135095 (0.00687383% change) linmin: converged after 12 iterations. iteration 6: trace = 5.514652113037982 (0.00190235% change) linmin: converged after 4 iterations. iteration 7: trace = 5.514602232259413 (0.000904518% change) linmin: converged after 4 iterations. iteration 8: trace = 5.514589888306563 (0.000223841% change) linmin: converged after 5 iterations. iteration 9: trace = 5.514584139299159 (0.000104251% change) linmin: converged after 5 iterations. iteration 10: trace = 5.514582298956496 (3.33723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.514581753925765 (9.88345e-06% change) linmin: converged after 4 iterations. iteration 12: trace = 5.51458155129702 (3.67442e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.514581501626841 (9.00706e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.514581491384362 (1.85734e-07% change) linmin: converged after 3 iterations. iteration 15: trace = 5.514581488005883 (6.12645e-08% change) linmin: converged after 37 iterations. iteration 16: trace = 5.514581486953495 (1.90837e-08% change) linmin: converged after 4 iterations. iteration 17: trace = 5.514581486665204 (5.2278e-09% change) linmin: converged after 2 iterations. iteration 18: trace = 5.514581486577281 (1.59437e-09% change) linmin: converged after 8 iterations. iteration 19: trace = 5.514581486551829 (4.6155e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.514581486536885 (2.70983e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.51458148652924 (1.3864e-10% change) linmin: converged after 5 iterations. iteration 22: trace = 5.514581486526159 (5.58717e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.487852, 0.531427, 0.598151, 0.814208, 0.865617, 0.875643, 1.10711, 1.10983 elapsed time for k point: 0.13580632209777832 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.513146354883722 (0.11801% change) linmin: converged after 3 iterations. iteration 2: trace = 5.510121677342044 (0.0548781% change) linmin: converged after 4 iterations. iteration 3: trace = 5.509211811143087 (0.016514% change) linmin: converged after 4 iterations. iteration 4: trace = 5.508907839981763 (0.00551766% change) linmin: converged after 3 iterations. iteration 5: trace = 5.508737669131319 (0.00308906% change) linmin: converged after 4 iterations. iteration 6: trace = 5.508683639257633 (0.000980808% change) linmin: converged after 4 iterations. iteration 7: trace = 5.50865412206727 (0.000535832% change) linmin: converged after 4 iterations. iteration 8: trace = 5.50864669288852 (0.000134864% change) linmin: converged after 6 iterations. iteration 9: trace = 5.508643590274295 (5.63226e-05% change) linmin: converged after 5 iterations. iteration 10: trace = 5.508642644310975 (1.71723e-05% change) linmin: converged after 5 iterations. iteration 11: trace = 5.50864236513062 (5.06804e-06% change) linmin: converged after 2 iterations. iteration 12: trace = 5.508642262323828 (1.86628e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.50864223788113 (4.43715e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.508642233589994 (7.78982e-08% change) linmin: converged after 2 iterations. iteration 15: trace = 5.508642232550772 (1.88653e-08% change) linmin: converged after 2 iterations. iteration 16: trace = 5.508642232232834 (5.77163e-09% change) linmin: converged after 3 iterations. iteration 17: trace = 5.5086422321571 (1.37482e-09% change) linmin: converged after 4 iterations. iteration 18: trace = 5.508642232135503 (3.92056e-10% change) linmin: converged after 4 iterations. iteration 19: trace = 5.508642232131606 (7.07332e-11% change) Finished solving for bands 1 to 8 after 19 iterations. tefreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.491236, 0.563106, 0.563151, 0.821423, 0.865195, 0.865231, 1.10923, 1.10941 elapsed time for k point: 0.12099671363830566 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.55058118313115 (0.389346% change) linmin: converged after 4 iterations. iteration 2: trace = 5.542766757881417 (0.140885% change) linmin: converged after 4 iterations. iteration 3: trace = 5.540530252342469 (0.0403581% change) linmin: converged after 4 iterations. iteration 4: trace = 5.539782553670534 (0.013496% change) linmin: converged after 4 iterations. iteration 5: trace = 5.539265295830601 (0.00933759% change) linmin: converged after 4 iterations. iteration 6: trace = 5.539067918395565 (0.00356331% change) linmin: converged after 4 iterations. iteration 7: trace = 5.538979756672791 (0.00159165% change) linmin: converged after 5 iterations. iteration 8: trace = 5.538958695418 (0.000380238% change) linmin: converged after 10 iterations. iteration 9: trace = 5.538951634380076 (0.00012748% change) linmin: converged after 5 iterations. iteration 10: trace = 5.538948975756819 (4.79987e-05% change) linmin: converged after 9 iterations. iteration 11: trace = 5.538948192460806 (1.41416e-05% change) linmin: converged after 3 iterations. iteration 12: trace = 5.538947835307317 (6.44804e-06% change) linmin: converged after 8 iterations. iteration 13: trace = 5.538947686577423 (2.68517e-06% change) linmin: converged after 4 iterations. iteration 14: trace = 5.538947636561917 (9.02978e-07% change) linmin: converged after 2 iterations. iteration 15: trace = 5.538947618030138 (3.34572e-07% change) linmin: converged after 4 iterations. iteration 16: trace = 5.538947613905355 (7.44687e-08% change) linmin: converged after 3 iterations. iteration 17: trace = 5.538947613187684 (1.29568e-08% change) linmin: converged after 16 iterations. iteration 18: trace = 5.538947612989022 (3.58665e-09% change) linmin: converged after 10 iterations. iteration 19: trace = 5.538947612948638 (7.29086e-10% change) linmin: converged after 4 iterations. iteration 20: trace = 5.538947612937269 (2.0525e-10% change) linmin: converged after 7 iterations. iteration 21: trace = 5.538947612933673 (6.49263e-11% change) Finished solving for bands 1 to 8 after 21 iterations. tefreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.446126, 0.532191, 0.637012, 0.806654, 0.86614, 0.893198, 1.10593, 1.10866 elapsed time for k point: 0.12360072135925293 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 3 iterations. iteration 1: trace = 5.647301200611738 (0.329684% change) linmin: converged after 4 iterations. iteration 2: trace = 5.640927549608877 (0.112926% change) linmin: converged after 4 iterations. iteration 3: trace = 5.638790479454456 (0.0378923% change) linmin: converged after 4 iterations. iteration 4: trace = 5.637897868749102 (0.0158311% change) linmin: converged after 4 iterations. iteration 5: trace = 5.637265321496212 (0.0112202% change) linmin: converged after 4 iterations. iteration 6: trace = 5.637035875264222 (0.00407025% change) linmin: converged after 4 iterations. iteration 7: trace = 5.636936166368233 (0.00176883% change) linmin: converged after 3 iterations. iteration 8: trace = 5.636905106755414 (0.000551003% change) linmin: converged after 5 iterations. iteration 9: trace = 5.636896042414138 (0.000160804% change) linmin: converged after 4 iterations. iteration 10: trace = 5.636893338294144 (4.79718e-05% change) linmin: converged after 3 iterations. iteration 11: trace = 5.63689288185743 (8.09731e-06% change) linmin: converged after 20 iterations. iteration 12: trace = 5.636892759768465 (2.16589e-06% change) linmin: converged after 4 iterations. iteration 13: trace = 5.636892722735103 (6.56982e-07% change) linmin: converged after 2 iterations. iteration 14: trace = 5.636892712210973 (1.86701e-07% change) linmin: converged after 4 iterations. iteration 15: trace = 5.636892708239743 (7.04507e-08% change) linmin: converged after 29 iterations. iteration 16: trace = 5.636892706830092 (2.50076e-08% change) linmin: converged after 19 iterations. iteration 17: trace = 5.636892706179626 (1.15394e-08% change) linmin: converged after 5 iterations. iteration 18: trace = 5.636892705778898 (7.10903e-09% change) linmin: converged after 18 iterations. iteration 19: trace = 5.636892705608984 (3.01432e-09% change) linmin: converged after 6 iterations. iteration 20: trace = 5.636892705551562 (1.01869e-09% change) linmin: converged after 6 iterations. iteration 21: trace = 5.636892705530972 (3.65268e-10% change) linmin: converged after 2 iterations. iteration 22: trace = 5.636892705526574 (7.80263e-11% change) Finished solving for bands 1 to 8 after 22 iterations. tefreqs:, 13, -0.2, 0.2, 0, 0.4, 0.345267, 0.542882, 0.713396, 0.795022, 0.875814, 0.938821, 1.09707, 1.10904 elapsed time for k point: 0.1397533416748047 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 5.818503972293691 (0.323359% change) linmin: converged after 4 iterations. iteration 2: trace = 5.811864946631749 (0.114167% change) linmin: converged after 3 iterations. iteration 3: trace = 5.80959695559026 (0.0390311% change) linmin: converged after 4 iterations. iteration 4: trace = 5.808664036811325 (0.0160595% change) linmin: converged after 4 iterations. iteration 5: trace = 5.808059684314398 (0.0104049% change) linmin: converged after 4 iterations. iteration 6: trace = 5.807780352579808 (0.0048095% change) linmin: converged after 4 iterations. iteration 7: trace = 5.807591816899011 (0.00324631% change) linmin: converged after 4 iterations. iteration 8: trace = 5.807497036546474 (0.00163202% change) linmin: converged after 6 iterations. iteration 9: trace = 5.807463230771279 (0.000582107% change) linmin: converged after 4 iterations. iteration 10: trace = 5.807448604624893 (0.000251851% change) linmin: converged after 4 iterations. iteration 11: trace = 5.807443106317815 (9.46769e-05% change) linmin: converged after 4 iterations. iteration 12: trace = 5.807439494876415 (6.21864e-05% change) linmin: converged after 3 iterations. iteration 13: trace = 5.807437481552949 (3.4668e-05% change) linmin: converged after 5 iterations. iteration 14: trace = 5.807436670284365 (1.39695e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 5.807436289960402 (6.54891e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 5.807436162892385 (2.18802e-06% change) linmin: converged after 3 iterations. iteration 17: trace = 5.807436126334485 (6.29502e-07% change) linmin: converged after 3 iterations. iteration 18: trace = 5.807436116187895 (1.74717e-07% change) linmin: converged after 4 iterations. iteration 19: trace = 5.807436113287419 (4.99442e-08% change) linmin: converged after 4 iterations. iteration 20: trace = 5.807436112416773 (1.49919e-08% change) linmin: converged after 8 iterations. iteration 21: trace = 5.807436112088626 (5.65047e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 5.807436111990084 (1.69682e-09% change) linmin: converged after 16 iterations. iteration 23: trace = 5.807436111928493 (1.06055e-09% change) linmin: converged after 13 iterations. iteration 24: trace = 5.807436111892697 (6.16387e-10% change) linmin: converged after 10 iterations. iteration 25: trace = 5.807436111861503 (5.37134e-10% change) linmin: converged after 4 iterations. iteration 26: trace = 5.807436111844972 (2.84648e-10% change) linmin: converged after 9 iterations. iteration 27: trace = 5.807436111839939 (8.667e-11% change) Finished solving for bands 1 to 8 after 27 iterations. tefreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.233479, 0.553269, 0.768719, 0.792196, 0.912766, 0.987203, 1.08919, 1.11098 elapsed time for k point: 0.15949344635009766 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 6.058568816406366 (0.404469% change) linmin: converged after 4 iterations. iteration 2: trace = 6.047217423444727 (0.187537% change) linmin: converged after 4 iterations. iteration 3: trace = 6.0428693536347 (0.0719279% change) linmin: converged after 4 iterations. iteration 4: trace = 6.041115569071303 (0.0290266% change) linmin: converged after 3 iterations. iteration 5: trace = 6.040281476957603 (0.0138079% change) linmin: converged after 3 iterations. iteration 6: trace = 6.039949783541457 (0.00549151% change) linmin: converged after 3 iterations. iteration 7: trace = 6.039732337732385 (0.00360019% change) linmin: converged after 4 iterations. iteration 8: trace = 6.039536476498154 (0.00324293% change) linmin: converged after 5 iterations. iteration 9: trace = 6.039366429150508 (0.00281561% change) linmin: converged after 4 iterations. iteration 10: trace = 6.039238347543021 (0.0021208% change) linmin: converged after 3 iterations. iteration 11: trace = 6.039190527154679 (0.000791831% change) linmin: converged after 4 iterations. iteration 12: trace = 6.039166804291315 (0.000392816% change) linmin: converged after 4 iterations. iteration 13: trace = 6.039155082215229 (0.000194101% change) linmin: converged after 4 iterations. iteration 14: trace = 6.039151356031256 (6.17004e-05% change) linmin: converged after 3 iterations. iteration 15: trace = 6.039149892355141 (2.42365e-05% change) linmin: converged after 3 iterations. iteration 16: trace = 6.039149291361488 (9.95163e-06% change) linmin: converged after 4 iterations. iteration 17: trace = 6.039148998716701 (4.84579e-06% change) linmin: converged after 3 iterations. iteration 18: trace = 6.039148870832841 (2.11758e-06% change) linmin: converged after 5 iterations. iteration 19: trace = 6.039148806998382 (1.05701e-06% change) linmin: converged after 3 iterations. iteration 20: trace = 6.039148770819057 (5.9908e-07% change) linmin: converged after 4 iterations. iteration 21: trace = 6.039148755038091 (2.61311e-07% change) linmin: converged after 4 iterations. iteration 22: trace = 6.039148750226732 (7.96695e-08% change) linmin: converged after 4 iterations. iteration 23: trace = 6.039148748437229 (2.96317e-08% change) linmin: converged after 4 iterations. iteration 24: trace = 6.039148747735014 (1.16277e-08% change) linmin: converged after 4 iterations. iteration 25: trace = 6.039148747103849 (1.04512e-08% change) linmin: converged after 13 iterations. iteration 26: trace = 6.039148746498664 (1.0021e-08% change) linmin: converged after 4 iterations. iteration 27: trace = 6.039148745995293 (8.33513e-09% change) linmin: converged after 27 iterations. iteration 28: trace = 6.039148745700733 (4.87751e-09% change) linmin: converged after 4 iterations. iteration 29: trace = 6.039148745569342 (2.17565e-09% change) linmin: converged after 9 iterations. iteration 30: trace = 6.039148745510182 (9.79605e-10% change) linmin: converged after 4 iterations. iteration 31: trace = 6.039148745490022 (3.33834e-10% change) linmin: converged after 6 iterations. iteration 32: trace = 6.039148745481262 (1.45055e-10% change) linmin: converged after 4 iterations. iteration 33: trace = 6.03914874547851 (4.55623e-11% change) Finished solving for bands 1 to 8 after 33 iterations. tefreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.117556, 0.559323, 0.789736, 0.793576, 0.983043, 1.02374, 1.09661, 1.11448 elapsed time for k point: 0.20374059677124023 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 6 iterations. iteration 1: trace = 6.298730915271923 (0.895356% change) linmin: converged after 5 iterations. iteration 2: trace = 6.245437546859799 (0.849692% change) linmin: converged after 4 iterations. iteration 3: trace = 6.223334153898405 (0.35454% change) linmin: converged after 4 iterations. iteration 4: trace = 6.211975635419504 (0.182682% change) linmin: converged after 4 iterations. iteration 5: trace = 6.208144497511515 (0.0616924% change) linmin: converged after 3 iterations. iteration 6: trace = 6.206836175369097 (0.0210765% change) linmin: converged after 4 iterations. iteration 7: trace = 6.206168982919507 (0.0107499% change) linmin: converged after 4 iterations. iteration 8: trace = 6.205804637845149 (0.00587086% change) linmin: converged after 4 iterations. iteration 9: trace = 6.205532505964936 (0.00438521% change) linmin: converged after 4 iterations. iteration 10: trace = 6.205428325423106 (0.00167885% change) linmin: converged after 4 iterations. iteration 11: trace = 6.205403953115949 (0.000392759% change) linmin: converged after 4 iterations. iteration 12: trace = 6.205389695901296 (0.000229755% change) linmin: converged after 8 iterations. iteration 13: trace = 6.205378818817473 (0.000175285% change) linmin: converged after 4 iterations. iteration 14: trace = 6.205369022899885 (0.000157862% change) linmin: converged after 4 iterations. iteration 15: trace = 6.205362148408089 (0.000110783% change) linmin: converged after 5 iterations. iteration 16: trace = 6.205354260892521 (0.000127108% change) linmin: converged after 5 iterations. iteration 17: trace = 6.205347521566777 (0.000108605% change) linmin: converged after 5 iterations. iteration 18: trace = 6.205343387171193 (6.66264e-05% change) linmin: converged after 6 iterations. iteration 19: trace = 6.205340291032243 (4.98947e-05% change) linmin: converged after 3 iterations. iteration 20: trace = 6.205338895537121 (2.24886e-05% change) linmin: converged after 2 iterations. iteration 21: trace = 6.205338348830022 (8.81027e-06% change) linmin: converged after 2 iterations. iteration 22: trace = 6.205338035122779 (5.05544e-06% change) linmin: converged after 2 iterations. iteration 23: trace = 6.205337843118102 (3.09419e-06% change) linmin: converged after 3 iterations. iteration 24: trace = 6.205337736263875 (1.72197e-06% change) linmin: converged after 2 iterations. iteration 25: trace = 6.205337681834897 (8.77132e-07% change) linmin: converged after 2 iterations. iteration 26: trace = 6.205337658438697 (3.77033e-07% change) linmin: converged after 4 iterations. iteration 27: trace = 6.20533765017481 (1.33174e-07% change) linmin: converged after 3 iterations. iteration 28: trace = 6.205337648379762 (2.89275e-08% change) linmin: converged after 2 iterations. iteration 29: trace = 6.20533764781293 (9.1346e-09% change) linmin: converged after 2 iterations. iteration 30: trace = 6.205337647526114 (4.62208e-09% change) linmin: converged after 3 iterations. iteration 31: trace = 6.205337647305309 (3.5583e-09% change) linmin: converged after 6 iterations. iteration 32: trace = 6.205337647187878 (1.89243e-09% change) linmin: converged after 3 iterations. iteration 33: trace = 6.205337647139043 (7.86979e-10% change) linmin: converged after 4 iterations. iteration 34: trace = 6.205337647127346 (1.8849e-10% change) linmin: converged after 3 iterations. iteration 35: trace = 6.205337647122201 (8.2916e-11% change) Finished solving for bands 2 to 8 after 35 iterations. tefreqs:, 16, 0, 0, 0, 0, 0, 0.561229, 0.793929, 0.794659, 1.03341, 1.03342, 1.11597, 1.11681 elapsed time for k point: 0.17310738563537598 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.4912358118675777 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.4730722390280759 at Vector3<0.0, 0.5, 0.0> to 0.5631059378714032 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 3 range: 0.5631505198559037 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.7939289395839753 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.7676614799039002 at Vector3<0.0, 0.5, 0.0> to 0.8214230044191522 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.865194814441527 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.0334130018594299 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8652307994936863 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.033423091041983 at Vector3<0.0, 0.0, 0.0> Band 7 range: 1.021367669109369 at Vector3<0.0, 0.5, 0.0> to 1.1159669907575178 at Vector3<0.0, 0.0, 0.0> Band 8 range: 1.1086626585374233 at Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> to 1.1168107191255356 at Vector3<0.0, 0.0, 0.0> Gap from band 2 (0.5631059378714032) to band 3 (0.5631505198559037), 0.007916844195590661% Gap from band 4 (0.8214230044191522) to band 5 (0.865194814441527), 5.190483526605094% total elapsed time for run: 2.562936544418335 done epsilon: 1-12, mean 2.59614, harm. mean 1.17149, 17.2852% > 1, 14.5104% "fill" Read lattice vectors Read Bloch wavevector (0, 0, 0) Input lattice = (0.866025, 0.5, 0), (0.866025, -0.5, 0), (0, 0, 1) Output lattice = (2.59808, 1.5, 0), (1.29904, -2.25, 0), (0, 0, 3) Input data is rank 2, size 32x32x1. Output data 96x83x1 real part range: 1 .. 12 ./tmp/meepakjAzV/test_tri_rods-0: 4.03s /tmp/meepakjAzV/test_triangular_lattice-0 ======================== Initializing eigensolver data Computing 8 bands with 1e-12 tolerance Working in 2 dimensions. Grid size is 32 x 32 x 1. Solving for 8 bands at a time. Creating Maxwell data... Mesh size is 3. Lattice vectors: (0.866025, 0.5, 0) (0.866025, -0.5, 0) (0, 0, 1) Cell volume = 0.866025 Reciprocal lattice vectors (/ 2 pi): (0.57735, 1, -0) (0.57735, -1, 0) (-0, 0, 1) Geometric objects: cylinder, center = (0,0,0) radius 0.2, height 1e+20, axis (0, 0, 1) Geometric object tree has depth 1 and 1 object nodes (vs. 1 actual objects) Initializing epsilon function... Allocating fields... Solving for band polarization: tm. Initializing fields to random numbers... 16 k-points Vector3<0.0, 0.0, 0.0> Vector3<0.0, 0.1, 0.0> Vector3<0.0, 0.2, 0.0> Vector3<0.0, 0.30000000000000004, 0.0> Vector3<0.0, 0.4, 0.0> Vector3<0.0, 0.5, 0.0> Vector3<-0.06666666666666667, 0.4666666666666667, 0.0> Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> Vector3<-0.2, 0.39999999999999997, 0.0> Vector3<-0.26666666666666666, 0.36666666666666664, 0.0> Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Vector3<-0.26666666666666666, 0.26666666666666666, 0.0> Vector3<-0.19999999999999998, 0.19999999999999998, 0.0> Vector3<-0.1333333333333333, 0.1333333333333333, 0.0> Vector3<-0.06666666666666665, 0.06666666666666665, 0.0> Vector3<0.0, 0.0, 0.0> elapsed time for initialization: 0.0014576911926269531 solve_kpoint (0,0,0): tmfreqs:, k index, k1, k2, k3, kmag/2pi, tm band 1, tm band 2, tm band 3, tm band 4, tm band 5, tm band 6, tm band 7, tm band 8 Solving for bands 2 to 8... near maximum in trace linmin: converged after 10 iterations. iteration 1: trace = 13.46696798403983 (196.169% change) linmin: converged after 7 iterations. iteration 2: trace = 5.440830280549287 (84.8976% change) linmin: converged after 6 iterations. iteration 3: trace = 4.843527011222895 (11.6158% change) linmin: converged after 6 iterations. iteration 4: trace = 4.668700885441982 (3.67582% change) linmin: converged after 5 iterations. iteration 5: trace = 4.608869323792538 (1.28981% change) linmin: converged after 7 iterations. iteration 6: trace = 4.588596019692742 (0.440845% change) linmin: converged after 5 iterations. iteration 7: trace = 4.580741637908754 (0.171318% change) linmin: converged after 4 iterations. iteration 8: trace = 4.578987295163937 (0.0383056% change) linmin: converged after 4 iterations. iteration 9: trace = 4.578322878448064 (0.0145112% change) linmin: converged after 4 iterations. iteration 10: trace = 4.578003942463015 (0.00696646% change) linmin: converged after 4 iterations. iteration 11: trace = 4.577929653765463 (0.00162274% change) linmin: converged after 5 iterations. iteration 12: trace = 4.577907037545194 (0.000494028% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577897255801734 (0.000213673% change) linmin: converged after 5 iterations. iteration 14: trace = 4.577895086336259 (4.739e-05% change) linmin: converged after 5 iterations. iteration 15: trace = 4.577894696365646 (8.51856e-06% change) linmin: converged after 2 iterations. iteration 16: trace = 4.57789463693543 (1.2982e-06% change) linmin: converged after 2 iterations. iteration 17: trace = 4.577894629221514 (1.68504e-07% change) linmin: converged after 2 iterations. iteration 18: trace = 4.577894627568718 (3.61038e-08% change) linmin: converged after 3 iterations. iteration 19: trace = 4.577894626939212 (1.3751e-08% change) linmin: converged after 5 iterations. iteration 20: trace = 4.577894626693606 (5.36505e-09% change) linmin: converged after 9 iterations. iteration 21: trace = 4.57789462661256 (1.77038e-09% change) linmin: converged after 4 iterations. iteration 22: trace = 4.577894626584484 (6.1328e-10% change) linmin: converged after 3 iterations. iteration 23: trace = 4.577894626574822 (2.11068e-10% change) linmin: converged after 4 iterations. iteration 24: trace = 4.577894626572792 (4.43323e-11% change) Finished solving for bands 2 to 8 after 24 iterations. tmfreqs:, 1, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 elapsed time for k point: 0.11612701416015625 solve_kpoint (0,0.1,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.573594159720884 (1.05882% change) linmin: converged after 5 iterations. iteration 2: trace = 4.5533624235809 (0.44334% change) linmin: converged after 3 iterations. iteration 3: trace = 4.549198778889174 (0.0914829% change) linmin: converged after 5 iterations. iteration 4: trace = 4.547235691259341 (0.0431617% change) linmin: converged after 4 iterations. iteration 5: trace = 4.546720480078164 (0.0113308% change) linmin: converged after 4 iterations. iteration 6: trace = 4.546675795887479 (0.000982783% change) linmin: converged after 4 iterations. iteration 7: trace = 4.546668812199723 (0.0001536% change) linmin: converged after 3 iterations. iteration 8: trace = 4.546667474444716 (2.94228e-05% change) linmin: converged after 4 iterations. iteration 9: trace = 4.546667093982199 (8.36794e-06% change) linmin: converged after 4 iterations. iteration 10: trace = 4.546667026314634 (1.48829e-06% change) linmin: converged after 4 iterations. iteration 11: trace = 4.546667010167314 (3.55146e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.546667005947763 (9.28054e-08% change) linmin: converged after 3 iterations. iteration 13: trace = 4.546667004173656 (3.90199e-08% change) linmin: converged after 2 iterations. iteration 14: trace = 4.546667003528526 (1.41891e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.546667003425869 (2.25786e-09% change) linmin: converged after 4 iterations. iteration 16: trace = 4.546667003411072 (3.25448e-10% change) linmin: converged after 2 iterations. iteration 17: trace = 4.546667003406389 (1.02987e-10% change) linmin: converged after 3 iterations. iteration 18: trace = 4.546667003404457 (4.25075e-11% change) Finished solving for bands 1 to 8 after 18 iterations. tmfreqs:, 2, 0, 0.1, 0, 0.11547, 0.0711319, 0.538981, 0.559429, 0.617095, 0.834123, 0.839462, 0.988272, 1.08637 elapsed time for k point: 0.11791181564331055 solve_kpoint (0,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.480154501469817 (1.0243% change) linmin: converged after 5 iterations. iteration 2: trace = 4.462951577211212 (0.384719% change) linmin: converged after 5 iterations. iteration 3: trace = 4.458417513622179 (0.101645% change) linmin: converged after 4 iterations. iteration 4: trace = 4.456998073935351 (0.0318424% change) linmin: converged after 4 iterations. iteration 5: trace = 4.456802317102498 (0.00439222% change) linmin: converged after 4 iterations. iteration 6: trace = 4.456776714934251 (0.000574453% change) linmin: converged after 5 iterations. iteration 7: trace = 4.456772279362191 (9.95243e-05% change) linmin: converged after 3 iterations. iteration 8: trace = 4.456771848143082 (9.67559e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.45677180550385 (9.56729e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.456771799201276 (1.41416e-07% change) linmin: converged after 2 iterations. iteration 11: trace = 4.456771797345358 (4.16427e-08% change) linmin: converged after 4 iterations. iteration 12: trace = 4.456771796664019 (1.52877e-08% change) linmin: converged after 2 iterations. iteration 13: trace = 4.456771796571513 (2.07564e-09% change) linmin: converged after 4 iterations. iteration 14: trace = 4.456771796564526 (1.56759e-10% change) linmin: converged after 6 iterations. iteration 15: trace = 4.456771796562712 (4.07144e-11% change) Finished solving for bands 1 to 8 after 15 iterations. tmfreqs:, 3, 0, 0.2, 0, 0.23094, 0.138898, 0.508574, 0.556587, 0.65398, 0.825087, 0.84452, 0.968999, 1.05281 elapsed time for k point: 0.09195876121520996 solve_kpoint (0,0.3,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.372440119410637 (0.691847% change) linmin: converged after 5 iterations. iteration 2: trace = 4.366282685668829 (0.140923% change) linmin: converged after 4 iterations. iteration 3: trace = 4.364947654944967 (0.0305806% change) linmin: converged after 4 iterations. iteration 4: trace = 4.364626763463701 (0.00735182% change) linmin: converged after 6 iterations. iteration 5: trace = 4.364572744594429 (0.00123766% change) linmin: converged after 5 iterations. iteration 6: trace = 4.364566107346524 (0.000152071% change) linmin: converged after 4 iterations. iteration 7: trace = 4.364565316740354 (1.81142e-05% change) linmin: converged after 15 iterations. iteration 8: trace = 4.364565239126184 (1.77828e-06% change) linmin: converged after 6 iterations. iteration 9: trace = 4.364565234500086 (1.05992e-07% change) linmin: converged after 19 iterations. iteration 10: trace = 4.364565233724115 (1.77789e-08% change) linmin: converged after 12 iterations. iteration 11: trace = 4.364565233381509 (7.84974e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.364565233306733 (1.71325e-09% change) linmin: converged after 6 iterations. iteration 13: trace = 4.364565233299627 (1.62798e-10% change) linmin: converged after 7 iterations. iteration 14: trace = 4.364565233298253 (3.14811e-11% change) Finished solving for bands 1 to 8 after 14 iterations. tmfreqs:, 4, 0, 0.3, 0, 0.34641, 0.198939, 0.479631, 0.553145, 0.693119, 0.813353, 0.850964, 0.932869, 1.02598 elapsed time for k point: 0.08492398262023926 solve_kpoint (0,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.308394919604844 (0.552361% change) linmin: converged after 4 iterations. iteration 2: trace = 4.304883211984182 (0.0815417% change) linmin: converged after 4 iterations. iteration 3: trace = 4.304231324865016 (0.0151441% change) linmin: converged after 6 iterations. iteration 4: trace = 4.304101774804951 (0.00300988% change) linmin: converged after 5 iterations. iteration 5: trace = 4.304072509722035 (0.000679937% change) linmin: converged after 5 iterations. iteration 6: trace = 4.304070117659418 (5.55767e-05% change) linmin: converged after 18 iterations. iteration 7: trace = 4.304069984297116 (3.09852e-06% change) linmin: converged after 3 iterations. iteration 8: trace = 4.304069968915972 (3.57363e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.304069965945503 (6.90153e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.304069964779028 (2.71017e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.304069964479558 (6.95785e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.304069964440695 (9.02919e-10% change) linmin: converged after 6 iterations. iteration 13: trace = 4.304069964437598 (7.1957e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 5, 0, 0.4, 0, 0.46188, 0.244064, 0.4557, 0.550414, 0.730028, 0.80289, 0.856372, 0.891379, 1.01409 elapsed time for k point: 0.08172273635864258 solve_kpoint (0,0.5,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.287294007238772 (0.514399% change) linmin: converged after 4 iterations. iteration 2: trace = 4.28412496132847 (0.0739445% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283595116492537 (0.0123684% change) linmin: converged after 4 iterations. iteration 4: trace = 4.283502303118704 (0.00216674% change) linmin: converged after 5 iterations. iteration 5: trace = 4.283478596024279 (0.000553453% change) linmin: converged after 3 iterations. iteration 6: trace = 4.28347715445874 (3.36541e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.28347707781069 (1.78939e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283477070330029 (1.7464e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283477066817817 (8.19944e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.283477065770438 (2.44516e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.283477065633831 (3.18914e-09% change) linmin: converged after 3 iterations. iteration 12: trace = 4.283477065618207 (3.64749e-10% change) linmin: converged after 8 iterations. iteration 13: trace = 4.283477065616427 (4.15529e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 6, 0, 0.5, 0, 0.57735, 0.262015, 0.445331, 0.549383, 0.749186, 0.797864, 0.85849, 0.870609, 1.01087 elapsed time for k point: 0.08547449111938477 solve_kpoint (-0.0666667,0.466667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.276566747825645 (0.530593% change) linmin: converged after 5 iterations. iteration 2: trace = 4.266858088831402 (0.227278% change) linmin: converged after 5 iterations. iteration 3: trace = 4.264882331994834 (0.0463154% change) linmin: converged after 4 iterations. iteration 4: trace = 4.264548458692773 (0.00782874% change) linmin: converged after 15 iterations. iteration 5: trace = 4.264488730548915 (0.00140058% change) linmin: converged after 5 iterations. iteration 6: trace = 4.264476449097829 (0.000287994% change) linmin: converged after 5 iterations. iteration 7: trace = 4.264474782181724 (3.90884e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.264474642738403 (3.26988e-06% change) linmin: converged after 2 iterations. iteration 9: trace = 4.264474631967129 (2.52581e-07% change) linmin: converged after 4 iterations. iteration 10: trace = 4.264474631257338 (1.66443e-08% change) linmin: converged after 2 iterations. iteration 11: trace = 4.264474631203496 (1.26256e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.264474631199773 (8.73084e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 7, -0.0666667, 0.466667, 0, 0.581187, 0.262984, 0.4475, 0.545804, 0.752448, 0.797093, 0.860461, 0.870245, 0.99895 elapsed time for k point: 0.07421660423278809 solve_kpoint (-0.133333,0.433333,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.232489072565515 (0.358169% change) linmin: converged after 5 iterations. iteration 2: trace = 4.229105412374748 (0.0799769% change) linmin: converged after 4 iterations. iteration 3: trace = 4.228655882204029 (0.01063% change) linmin: converged after 4 iterations. iteration 4: trace = 4.228604967100096 (0.00120406% change) linmin: converged after 5 iterations. iteration 5: trace = 4.228597156343835 (0.000184713% change) linmin: converged after 15 iterations. iteration 6: trace = 4.228595847507817 (3.0952e-05% change) linmin: converged after 2 iterations. iteration 7: trace = 4.228595668484542 (4.23363e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.22859565366972 (3.50349e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.228595652361874 (3.09286e-08% change) linmin: converged after 2 iterations. iteration 10: trace = 4.228595652271399 (2.1396e-09% change) linmin: converged after 2 iterations. iteration 11: trace = 4.228595652264812 (1.55766e-10% change) linmin: converged after 4 iterations. iteration 12: trace = 4.228595652264469 (8.10758e-12% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 8, -0.133333, 0.433333, 0, 0.592546, 0.265671, 0.453801, 0.535912, 0.761319, 0.795166, 0.866056, 0.869135, 0.973413 elapsed time for k point: 0.07484650611877441 solve_kpoint (-0.2,0.4,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.198038763849723 (0.248355% change) linmin: converged after 4 iterations. iteration 2: trace = 4.196704784159248 (0.0317813% change) linmin: converged after 4 iterations. iteration 3: trace = 4.196585228731935 (0.00284883% change) linmin: converged after 5 iterations. iteration 4: trace = 4.196578318037076 (0.000164674% change) linmin: converged after 11 iterations. iteration 5: trace = 4.196577861660908 (1.0875e-05% change) linmin: converged after 4 iterations. iteration 6: trace = 4.196577824465235 (8.86333e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.196577821831919 (6.27491e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.196577821279777 (1.3157e-08% change) linmin: converged after 4 iterations. iteration 9: trace = 4.196577821233547 (1.10163e-09% change) linmin: converged after 4 iterations. iteration 10: trace = 4.19657782122971 (9.14088e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 9, -0.2, 0.4, 0, 0.61101, 0.269404, 0.463648, 0.52172, 0.773443, 0.792931, 0.867201, 0.874681, 0.94487 elapsed time for k point: 0.06500983238220215 solve_kpoint (-0.266667,0.366667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.176560952862595 (0.20622% change) linmin: converged after 4 iterations. iteration 2: trace = 4.175731928735249 (0.0198514% change) linmin: converged after 4 iterations. iteration 3: trace = 4.175658188677838 (0.00176593% change) linmin: converged after 4 iterations. iteration 4: trace = 4.175652343488816 (0.000139983% change) linmin: converged after 19 iterations. iteration 5: trace = 4.175651823639799 (1.24495e-05% change) linmin: converged after 36 iterations. iteration 6: trace = 4.175651765087074 (1.40224e-06% change) linmin: converged after 25 iterations. iteration 7: trace = 4.175651761832761 (7.79355e-08% change) linmin: converged after 2 iterations. iteration 8: trace = 4.175651761361389 (1.12886e-08% change) linmin: converged after 3 iterations. iteration 9: trace = 4.175651761335722 (6.14694e-10% change) linmin: converged after 2 iterations. iteration 10: trace = 4.175651761333511 (5.29421e-11% change) Finished solving for bands 1 to 8 after 10 iterations. tmfreqs:, 10, -0.266667, 0.366667, 0, 0.635959, 0.273, 0.476141, 0.505606, 0.78524, 0.791235, 0.864672, 0.885801, 0.918597 elapsed time for k point: 0.06965470314025879 solve_kpoint (-0.333333,0.333333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.169192632974811 (0.188262% change) linmin: converged after 4 iterations. iteration 2: trace = 4.168494135847975 (0.0167552% change) linmin: converged after 5 iterations. iteration 3: trace = 4.168418925223787 (0.00180428% change) linmin: converged after 5 iterations. iteration 4: trace = 4.16841215172734 (0.000162496% change) linmin: converged after 2 iterations. iteration 5: trace = 4.168411725528161 (1.02245e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.168411690634318 (8.37102e-07% change) linmin: converged after 2 iterations. iteration 7: trace = 4.168411689651685 (2.35733e-08% change) linmin: converged after 3 iterations. iteration 8: trace = 4.168411689612854 (9.31558e-10% change) linmin: converged after 2 iterations. iteration 9: trace = 4.168411689609142 (8.90435e-11% change) Finished solving for bands 1 to 8 after 9 iterations. tmfreqs:, 11, -0.333333, 0.333333, 0, 0.666667, 0.27469, 0.489984, 0.490239, 0.79072, 0.790832, 0.863041, 0.899109, 0.89925 elapsed time for k point: 0.056772708892822266 solve_kpoint (-0.266667,0.266667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.201218407861228 (0.720819% change) linmin: converged after 4 iterations. iteration 2: trace = 4.198256255957313 (0.0705318% change) linmin: converged after 4 iterations. iteration 3: trace = 4.197890564842538 (0.00871093% change) linmin: converged after 5 iterations. iteration 4: trace = 4.197857649510742 (0.000784095% change) linmin: converged after 4 iterations. iteration 5: trace = 4.197854429378012 (7.6709e-05% change) linmin: converged after 2 iterations. iteration 6: trace = 4.197854075525582 (8.42936e-06% change) linmin: converged after 6 iterations. iteration 7: trace = 4.197854052380288 (5.5136e-07% change) linmin: converged after 2 iterations. iteration 8: trace = 4.19785405041534 (4.68084e-08% change) linmin: converged after 2 iterations. iteration 9: trace = 4.197854050317017 (2.34222e-09% change) linmin: converged after 2 iterations. iteration 10: trace = 4.197854050309857 (1.70554e-10% change) linmin: converged after 15 iterations. iteration 11: trace = 4.1978540503093 (1.3266e-11% change) Finished solving for bands 1 to 8 after 11 iterations. tmfreqs:, 12, -0.266667, 0.266667, 0, 0.533333, 0.2632, 0.47091, 0.51804, 0.764413, 0.795091, 0.864427, 0.896871, 0.932925 elapsed time for k point: 0.07476925849914551 solve_kpoint (-0.2,0.2,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.288243522338976 (0.732668% change) linmin: converged after 4 iterations. iteration 2: trace = 4.283958408011071 (0.099977% change) linmin: converged after 4 iterations. iteration 3: trace = 4.283371588299238 (0.013699% change) linmin: converged after 5 iterations. iteration 4: trace = 4.283281438838009 (0.00210466% change) linmin: converged after 6 iterations. iteration 5: trace = 4.283267824693608 (0.000317844% change) linmin: converged after 4 iterations. iteration 6: trace = 4.283266579370458 (2.90741e-05% change) linmin: converged after 3 iterations. iteration 7: trace = 4.283266497834246 (1.9036e-06% change) linmin: converged after 2 iterations. iteration 8: trace = 4.283266490102653 (1.80507e-07% change) linmin: converged after 2 iterations. iteration 9: trace = 4.283266489093188 (2.35676e-08% change) linmin: converged after 4 iterations. iteration 10: trace = 4.283266489000646 (2.16055e-09% change) linmin: converged after 3 iterations. iteration 11: trace = 4.28326648899116 (2.21481e-10% change) linmin: converged after 16 iterations. iteration 12: trace = 4.283266488990684 (1.11145e-11% change) Finished solving for bands 1 to 8 after 12 iterations. tmfreqs:, 13, -0.2, 0.2, 0, 0.4, 0.222593, 0.476537, 0.539917, 0.715636, 0.806516, 0.856013, 0.929969, 0.977199 elapsed time for k point: 0.07407450675964355 solve_kpoint (-0.133333,0.133333,0): Solving for bands 1 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.420129679060166 (0.818903% change) linmin: converged after 5 iterations. iteration 2: trace = 4.412260674164766 (0.178185% change) linmin: converged after 4 iterations. iteration 3: trace = 4.410633634426059 (0.0368822% change) linmin: converged after 4 iterations. iteration 4: trace = 4.410197926814338 (0.00987906% change) linmin: converged after 6 iterations. iteration 5: trace = 4.410114427040233 (0.00189335% change) linmin: converged after 5 iterations. iteration 6: trace = 4.410103889016632 (0.000238952% change) linmin: converged after 5 iterations. iteration 7: trace = 4.410102421711938 (3.32714e-05% change) linmin: converged after 2 iterations. iteration 8: trace = 4.410102293698956 (2.90272e-06% change) linmin: converged after 4 iterations. iteration 9: trace = 4.410102277309542 (3.71633e-07% change) linmin: converged after 2 iterations. iteration 10: trace = 4.410102274815384 (5.65556e-08% change) linmin: converged after 4 iterations. iteration 11: trace = 4.410102274561977 (5.74606e-09% change) linmin: converged after 4 iterations. iteration 12: trace = 4.410102274546349 (3.54377e-10% change) linmin: converged after 2 iterations. iteration 13: trace = 4.410102274545239 (2.51544e-11% change) Finished solving for bands 1 to 8 after 13 iterations. tmfreqs:, 14, -0.133333, 0.133333, 0, 0.266667, 0.15856, 0.501245, 0.552927, 0.666818, 0.82116, 0.846938, 0.963589, 1.03113 elapsed time for k point: 0.08189105987548828 solve_kpoint (-0.0666667,0.0666667,0): Solving for bands 1 to 8... linmin: converged after 5 iterations. iteration 1: trace = 4.563328932101822 (1.027% change) linmin: converged after 5 iterations. iteration 2: trace = 4.54456039825868 (0.412138% change) linmin: converged after 5 iterations. iteration 3: trace = 4.537741031323391 (0.150168% change) linmin: converged after 5 iterations. iteration 4: trace = 4.535260913319922 (0.0546703% change) linmin: converged after 4 iterations. iteration 5: trace = 4.534595991553311 (0.0146622% change) linmin: converged after 5 iterations. iteration 6: trace = 4.534531477384966 (0.00142272% change) linmin: converged after 4 iterations. iteration 7: trace = 4.534520999244496 (0.000231075% change) linmin: converged after 5 iterations. iteration 8: trace = 4.534518657738525 (5.16374e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.534517831347479 (1.82245e-05% change) linmin: converged after 2 iterations. iteration 10: trace = 4.5345176853933 (3.21874e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.534517644423108 (9.03518e-07% change) linmin: converged after 2 iterations. iteration 12: trace = 4.534517627208908 (3.79626e-07% change) linmin: converged after 2 iterations. iteration 13: trace = 4.534517623618735 (7.91743e-08% change) linmin: converged after 10 iterations. iteration 14: trace = 4.534517622906266 (1.57121e-08% change) linmin: converged after 4 iterations. iteration 15: trace = 4.534517622781561 (2.75014e-09% change) linmin: converged after 6 iterations. iteration 16: trace = 4.534517622760761 (4.5869e-10% change) linmin: converged after 4 iterations. iteration 17: trace = 4.534517622757202 (7.84853e-11% change) Finished solving for bands 1 to 8 after 17 iterations. tmfreqs:, 15, -0.0666667, 0.0666667, 0, 0.133333, 0.0819275, 0.534465, 0.558896, 0.622523, 0.832982, 0.840137, 0.98638, 1.08149 elapsed time for k point: 0.10252761840820312 solve_kpoint (0,0,0): Solving for bands 2 to 8... linmin: converged after 4 iterations. iteration 1: trace = 4.620932082274213 (1.44492% change) linmin: converged after 5 iterations. iteration 2: trace = 4.585858477330618 (0.761907% change) linmin: converged after 5 iterations. iteration 3: trace = 4.579350993234686 (0.142004% change) linmin: converged after 4 iterations. iteration 4: trace = 4.578211771379698 (0.0248805% change) linmin: converged after 4 iterations. iteration 5: trace = 4.577956393189922 (0.00557828% change) linmin: converged after 6 iterations. iteration 6: trace = 4.577915173102074 (0.000900408% change) linmin: converged after 6 iterations. iteration 7: trace = 4.577900193795435 (0.000327209% change) linmin: converged after 3 iterations. iteration 8: trace = 4.577895724955969 (9.76177e-05% change) linmin: converged after 5 iterations. iteration 9: trace = 4.577894738564437 (2.15468e-05% change) linmin: converged after 9 iterations. iteration 10: trace = 4.577894647524328 (1.98869e-06% change) linmin: converged after 2 iterations. iteration 11: trace = 4.577894631981878 (3.39511e-07% change) linmin: converged after 4 iterations. iteration 12: trace = 4.577894627560065 (9.65905e-08% change) linmin: converged after 4 iterations. iteration 13: trace = 4.577894626684427 (1.91275e-08% change) linmin: converged after 3 iterations. iteration 14: trace = 4.577894626586346 (2.14248e-09% change) linmin: converged after 3 iterations. iteration 15: trace = 4.577894626573654 (2.77247e-10% change) linmin: converged after 2 iterations. iteration 16: trace = 4.577894626572483 (2.55711e-11% change) Finished solving for bands 2 to 8 after 16 iterations. tmfreqs:, 16, 0, 0, 0, 0, 0, 0.560518, 0.560561, 0.593296, 0.837451, 0.837595, 0.994129, 1.09832 .. ====================================================================== FAIL: test_diamond (__main__.TestModeSolver.test_diamond) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 906, in test_diamond self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files self.assertClose(ref[k][()], res[k][()], epsilon=1e-3) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg) ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: np.float64(25.58265238651825) not less than or equal to np.float64(0.03691918193133089) : ====================================================================== FAIL: test_epsilon_input_file (__main__.TestModeSolver.test_epsilon_input_file) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1744, in test_epsilon_input_file self.check_gap_list(expected_gap_list, ms.gap_list) ~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 213, in check_gap_list self.check_freqs(expected_gap_list, result) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 210, in check_freqs self.assertAlmostEqual(r, e, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: 1.4651880980149015 != 1.469257717113039 within 3 places (0.004069619098137522 difference) ====================================================================== FAIL: test_hole_slab (__main__.TestModeSolver.test_hole_slab) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 935, in test_hole_slab self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 235, in compare_h5_files self.assertEqual(ref[k][()], res[k][()]) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: b'h field, kpoint 1, band 9, freq=0.592619' != b'h field, kpoint 1, band 9, freq=0.59253' ====================================================================== FAIL: test_output_efield_z (__main__.TestModeSolver.test_output_efield_z) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 571, in test_output_efield_z self.compare_h5_files(ref_path, res_path) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 237, in compare_h5_files self.assertClose(ref[k][()], res[k][()], epsilon=1e-3) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/tests/utils.py", line 29, in assertClose self.assertLessEqual(diff_norm, epsilon * np.maximum(x_norm, y_norm), msg) ~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: np.float64(2.35577178501025e-08) not less than or equal to np.float64(1.446824213066321e-08) : ====================================================================== FAIL: test_strip (__main__.TestModeSolver.test_strip) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mpb.py", line 1194, in test_strip self.assertAlmostEqual(e, r, places=3) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^ AssertionError: -0.9945407488966614 != -0.9950905165813099 within 3 places (0.0005497676846484278 difference) ---------------------------------------------------------------------- Ran 47 tests in 477.803s FAILED (failures=5) elapsed time for k point: 0.08216691017150879 Band 1 range: 0.0 at Vector3<0.0, 0.0, 0.0> to 0.2746902258623627 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 2 range: 0.44533108084715767 at Vector3<0.0, 0.5, 0.0> to 0.5605181423162842 at Vector3<0.0, 0.0, 0.0> Band 3 range: 0.4902389149027673 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.5605607947797745 at Vector3<0.0, 0.0, 0.0> Band 4 range: 0.5932960873585141 at Vector3<0.0, 0.0, 0.0> to 0.7907195974443695 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> Band 5 range: 0.7908320763327581 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 0.837451116753757 at Vector3<0.0, 0.0, 0.0> Band 6 range: 0.8375948528443267 at Vector3<0.0, 0.0, 0.0> to 0.8672009264903464 at Vector3<-0.2, 0.39999999999999997, 0.0> Band 7 range: 0.8691349955739203 at Vector3<-0.13333333333333333, 0.43333333333333335, 0.0> to 0.9941291022664875 at Vector3<0.0, 0.0, 0.0> Band 8 range: 0.899249909554706 at Vector3<-0.3333333333333333, 0.3333333333333333, 0.0> to 1.098318352915693 at Vector3<0.0, 0.0, 0.0> Gap from band 1 (0.2746902258623627) to band 2 (0.44533108084715767), 47.398834838546506% Gap from band 3 (0.5605607947797745) to band 4 (0.5932960873585141), 5.674064623695046% Gap from band 4 (0.7907195974443695) to band 5 (0.7908320763327581), 0.014223865113428144% Gap from band 5 (0.837451116753757) to band 6 (0.8375948528443267), 0.01716204727254158% Gap from band 6 (0.8672009264903464) to band 7 (0.8691349955739203), 0.22277591092793939% total elapsed time for run: 1.3368110656738281 done /tmp/meepakjAzV/test_triangular_lattice-0: 1.34s /tmp/meepakjAzV/test_update_band_range_data-0 ======================== /tmp/meepakjAzV/test_update_band_range_data-0: 0.00s Elapsed run time = 477.9771 s FAIL tests/test_mpb.py (exit status: 1) FAIL: tests/test_mode_decomposition =================================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_mode_decomposition.py", line 4, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_mode_decomposition.py (exit status: 1) FAIL: tests/test_multilevel_atom ================================ Matplotlib created a temporary cache directory at /tmp/matplotlib-nv2lshfy because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... time for choose_chunkdivision = 3.38554e-05 s Working in 1D dimensions. Computational cell is 0 x 0 x 3 with resolution 40 block, center = (0,0,-1) size (1e+20,1e+20,1) axes (1,0,0), (0,1,0), (0,0,1) dielectric constant epsilon diagonal = (2.25,2.25,2.25) time for set_epsilon = 6.19888e-05 s multilevel atom susceptibility ----------- Meep progress: 2231.5/7000.0 = 31.9% done in 4.0s, 8.5s to go on time step 178520 (time=2231.5), 2.24067e-05 s/step Meep progress: 4569.725/7000.0 = 65.3% done in 8.0s, 4.3s to go on time step 365581 (time=4569.76), 2.13835e-05 s/step F ====================================================================== FAIL: test_multilevel_atom (__main__.TestMultiLevelAtom.test_multilevel_atom) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 77, in test_multilevel_atom sim.run(mp.at_end(check_field), until=7000) ~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 4536, in run self._run_until(until, step_funcs) ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 2841, in _run_until _eval_step_func(self, func, "finish") ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5006, in _eval_step_func func(sim, todo) ~~~~^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5087, in _end _eval_step_func(sim, func, "step") ~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/meep-1.29.0/python/meep/simulation.py", line 5004, in _eval_step_func func(sim) ~~~~^^^^^ File "/build/reproducible-path/meep-1.29.0/python/./tests/test_multilevel_atom.py", line 73, in check_field self.assertAlmostEqual(fp, -2.7110969214986387) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: -0.04452311652305546 != -2.7110969214986387 within 7 places (2.666573804975583 difference) ---------------------------------------------------------------------- Ran 1 test in 11.362s FAILED (failures=1) Elapsed run time = 11.3640 s FAIL tests/test_multilevel_atom.py (exit status: 1) FAIL: tests/test_pml_cyl ======================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_pml_cyl.py", line 2, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_pml_cyl.py (exit status: 1) FAIL: tests/test_refl_angular ============================= Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_refl_angular.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_refl_angular.py (exit status: 1) FAIL: tests/test_ring ===================== Matplotlib created a temporary cache directory at /tmp/matplotlib-hmjgjpgt because the default path (/nonexistent/first-build/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000147104 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.049793 s ----------- Meep: using output directory '/tmp/meep0jQTZi' creating output file "/tmp/meep0jQTZi/test_ring-eps-000000.00.h5"... Fharminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) ----------- Initializing structure... Halving computational cell along direction y time for choose_chunkdivision = 0.000136137 s Working in 2D dimensions. Computational cell is 16 x 16 x 0 with resolution 10 cylinder, center = (0,0,0) radius 2, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (11.56,11.56,11.56) cylinder, center = (0,0,0) radius 1, height 1e+20, axis (0, 0, 1) dielectric constant epsilon diagonal = (1,1,1) time for set_epsilon = 0.0531769 s ----------- /usr/lib/python3/dist-packages/scipy/interpolate/_pade.py:63: LinAlgWarning: Ill-conditioned matrix (rcond=1.59663e-20): result may not be accurate. pq = linalg.solve(C, an) . ====================================================================== FAIL: test_harminv (__main__.TestRing.test_harminv) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_ring.py", line 67, in test_harminv self.assertAlmostEqual(m1.amp.real, -0.00304951667301, places=4) ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: -0.003101645043636964 != -0.00304951667301 within 4 places (5.2128370626963825e-05 difference) ---------------------------------------------------------------------- Ran 2 tests in 18.833s FAILED (failures=1) Meep: using output directory '/tmp/meep0jQTZi' harminv0:, frequency, imag. freq., Q, |amp|, amplitude, error harminv0:, 0.11809283891634406, -0.0007452502346727954, 79.23032655480687, 0.003456670970555829, -0.003101645043636964-0.0015259004626664333i, 6.11486569740144e-07+0.0i harminv0:, 0.14717195647548612, -0.00021478968139173544, 342.59549975092267, 0.02815407643858081, 0.018767821724729936+0.020986207085088204i, 3.8067841308090843e-07+0.0i harminv0:, 0.17525084853535935, -4.9430552282103865e-05, 1772.6976580717694, 0.007182845877209669, -0.0007884862844628182-0.007139437251980156i, 7.605658690038468e-07+0.0i run 0 finished at t = 400.0 (8000 timesteps) Elapsed run time = 19.3651 s FAIL tests/test_ring.py (exit status: 1) FAIL: tests/test_special_kz =========================== Traceback (most recent call last): File "/build/reproducible-path/meep-1.29.0/python/./tests/test_special_kz.py", line 6, in import parameterized ModuleNotFoundError: No module named 'parameterized' FAIL tests/test_special_kz.py (exit status: 1) ## check whether testsuite runs everywhere #make check; \ #cat python/test-suite.log make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' create-stamp debian/debhelper-build-stamp dh_prep debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_installchangelogs NEWS.md dh_auto_install make -j1 install DESTDIR=/build/reproducible-path/meep-1.29.0/debian/tmp AM_UPDATE_INFO_DIR=no make[2]: Entering directory '/build/reproducible-path/meep-1.29.0' Making install in src make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make install-recursive make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/src' Making install in support make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src/support' make[6]: Nothing to be done for 'install-exec-am'. make[6]: Nothing to be done for 'install-data-am'. make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src/support' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/src' make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/src' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libmeep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/libmeep.so.33.0.0 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so.33 || { rm -f libmeep.so.33 && ln -s libmeep.so.33.0.0 libmeep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libmeep.so.33.0.0 libmeep.so || { rm -f libmeep.so && ln -s libmeep.so.33.0.0 libmeep.so; }; }) libtool: install: /usr/bin/install -c .libs/libmeep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.la libtool: install: /usr/bin/install -c .libs/libmeep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libmeep.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/install -c -m 644 meep.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 meep/mympi.hpp meep/vec.hpp meep/meep-config.h meepgeom.hpp material_data.hpp adjust_verbosity.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/src' Making install in tests make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/tests' make[4]: Nothing to be done for 'install-exec-am'. make[4]: Nothing to be done for 'install-data-am'. make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/tests' Making install in scheme make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/scheme' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' /bin/bash ../libtool --mode=install /usr/bin/install -c meep '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin' libtool: warning: '../src/libmeep.la' has not been installed in '/usr/lib/aarch64-linux-gnu' libtool: install: /usr/bin/install -c .libs/meep /build/reproducible-path/meep-1.29.0/debian/tmp/usr/bin/meep /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' /usr/bin/install -c -m 644 meep.scm meep-enums.scm casimir.scm materials.scm '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/share/meep' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/scheme' Making install in libpympb make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/libpympb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' /bin/bash ../libtool --mode=install /usr/bin/install -c libpympb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu' libtool: warning: relinking 'libpympb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/libpympb; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o libpympb.la -rpath /usr/lib/aarch64-linux-gnu libpympb_la-pympb.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/libpympb_la-pympb.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,libpympb.so.33 -o .libs/libpympb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/libpympb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so.33 || { rm -f libpympb.so.33 && ln -s libpympb.so.33.0.0 libpympb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu && { ln -s -f libpympb.so.33.0.0 libpympb.so || { rm -f libpympb.so && ln -s libpympb.so.33.0.0 libpympb.so; }; }) libtool: install: /usr/bin/install -c .libs/libpympb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.la libtool: install: /usr/bin/install -c .libs/libpympb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/libpympb.a libtool: warning: remember to run 'libtool --finish /usr/lib/aarch64-linux-gnu' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' /usr/bin/install -c -m 644 pympb.hpp '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/include/meep' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/libpympb' Making install in python make[3]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make install-am make[4]: Entering directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Entering directory '/build/reproducible-path/meep-1.29.0/python' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /bin/bash ../libtool --mode=install /usr/bin/install -c _meep.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' libtool: warning: relinking '_meep.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _meep.la -rpath /usr/lib/python3.13/site-packages/meep _meep_la-meep-python.lo ../src/libmeep.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_meep_la-meep-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lmeep -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_meep.so.33 -o .libs/_meep.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_meep.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so.33 || { rm -f _meep.so.33 && ln -s _meep.so.33.0.0 _meep.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep && { ln -s -f _meep.so.33.0.0 _meep.so || { rm -f _meep.so && ln -s _meep.so.33.0.0 _meep.so; }; }) libtool: install: /usr/bin/install -c .libs/_meep.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.la libtool: install: /usr/bin/install -c .libs/_meep.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/_meep.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' /usr/bin/install -c -m 644 ./adjoint/__init__.py ./adjoint/basis.py ./adjoint/objective.py ./adjoint/optimization_problem.py ./adjoint/filters.py ./adjoint/filter_source.py ./adjoint/connectivity.py ./adjoint/unfilter_design.py ./adjoint/wrapper.py ./adjoint/utils.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/adjoint' Byte-compiling python modules... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py Byte-compiling python modules (more optimized versions) ... __init__.py basis.py objective.py optimization_problem.py filters.py filter_source.py connectivity.py unfilter_design.py wrapper.py utils.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' /usr/bin/install -c -m 644 __init__.py ./binary_partition_utils.py ./chunk_balancer.py ./geom.py ./simulation.py ./source.py ./timing_measurements.py ./visualization.py ./materials.py ./verbosity_mgr.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep' Byte-compiling python modules... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py Byte-compiling python modules (more optimized versions) ... __init__.py binary_partition_utils.py chunk_balancer.py geom.py simulation.py source.py timing_measurements.py visualization.py materials.py verbosity_mgr.py /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /bin/bash ../libtool --mode=install /usr/bin/install -c _mpb.la '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' libtool: warning: relinking '_mpb.la' libtool: install: (cd /build/reproducible-path/meep-1.29.0/python; /bin/bash "/build/reproducible-path/meep-1.29.0/libtool" --tag CXX --mode=relink aarch64-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -mbranch-protection=standard -Wall -W -module -version-info 33:0:0 -Wl,-z,relro -Wl,-z,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -o _mpb.la -rpath /usr/lib/python3.13/site-packages/meep/mpb _mpb_la-mpb-python.lo ../libpympb/libpympb.la -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas -lm -lmpb -lharminv -llapack -lblas -lfftw3 -lm -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/aarch64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lm -inst-prefix-dir /build/reproducible-path/meep-1.29.0/debian/tmp) libtool: relink: aarch64-linux-gnu-g++ -fPIC -DPIC -shared -nostdlib /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crti.o /usr/lib/gcc/aarch64-linux-gnu/14/crtbeginS.o .libs/_mpb_la-mpb-python.o -L/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu -L/usr/lib/aarch64-linux-gnu -lpympb -lGDSII -lctlgeom -lhdf5 -lz -lgsl -lgslcblas /usr/lib/libmpb.a -lharminv -llapack -lblas -L/usr/lib/gcc/aarch64-linux-gnu/14 -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu -L/usr/lib/gcc/aarch64-linux-gnu/14/../../../../lib -L/lib/aarch64-linux-gnu -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/aarch64-linux-gnu/14/../../.. -L/usr/lib/aarch64-linux-gnu/hdf5/serial -lfftw3 -lgfortran -lstdc++ -lm -lc -lgcc_s /usr/lib/gcc/aarch64-linux-gnu/14/crtendS.o /usr/lib/gcc/aarch64-linux-gnu/14/../../../aarch64-linux-gnu/crtn.o -g -O2 -ffile-prefix-map=/build/reproducible-path/meep-1.29.0=. -fstack-protector-strong -Werror=format-security -mbranch-protection=standard -Wl,-z -Wl,relro -Wl,-z -Wl,now -Wl,-L/usr/lib/aarch64-linux-gnu/hdf5/serial -Wl,-soname -Wl,_mpb.so.33 -o .libs/_mpb.so.33.0.0 libtool: install: /usr/bin/install -c .libs/_mpb.so.33.0.0T /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.so.33.0.0 libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so.33 || { rm -f _mpb.so.33 && ln -s _mpb.so.33.0.0 _mpb.so.33; }; }) libtool: install: (cd /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb && { ln -s -f _mpb.so.33.0.0 _mpb.so || { rm -f _mpb.so && ln -s _mpb.so.33.0.0 _mpb.so; }; }) libtool: install: /usr/bin/install -c .libs/_mpb.lai /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.la libtool: install: /usr/bin/install -c .libs/_mpb.a /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: chmod 644 /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: install: aarch64-linux-gnu-ranlib /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/_mpb.a libtool: warning: remember to run 'libtool --finish /usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' /usr/bin/install -c -m 644 mpb.py solver.py mpb_data.py '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb' Byte-compiling python modules... mpb.py solver.py mpb_data.py Byte-compiling python modules (optimized versions) ... mpb.py solver.py mpb_data.py Byte-compiling python modules (more optimized versions) ... mpb.py solver.py mpb_data.py make install-data-hook make[6]: Entering directory '/build/reproducible-path/meep-1.29.0/python' mv /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/mpb.py /build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/python3.13/site-packages/meep/mpb/__init__.py make[6]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[5]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0/python' make[3]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Entering directory '/build/reproducible-path/meep-1.29.0' make[4]: Nothing to be done for 'install-exec-am'. /usr/bin/mkdir -p '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' /usr/bin/install -c -m 644 meep.pc '/build/reproducible-path/meep-1.29.0/debian/tmp/usr/lib/aarch64-linux-gnu/pkgconfig' make[4]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[3]: Leaving directory '/build/reproducible-path/meep-1.29.0' make[2]: Leaving directory '/build/reproducible-path/meep-1.29.0' rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/adjoint/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/*.la rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyc rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.pyo rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.a rm -f -f debian/tmp/usr/lib/python*/site-packages/meep/mpb/*.la rm -f -f debian/tmp/usr/lib/*/libpympb.la rm -f -f debian/tmp/usr/lib/*/libmeep.la rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/adjoint/__pycache__/ rm -f -rf debian/tmp/usr/lib/python*/site-packages/meep/mpb/__pycache__/ make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_install dh_installdocs dh_installchangelogs dh_installman dh_lintian dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_dwz -a dh_strip -a dh_makeshlibs -a debian/rules override_dh_shlibdeps make[1]: Entering directory '/build/reproducible-path/meep-1.29.0' dh_shlibdeps dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux-aarch64.so.1 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/_meep.so.33.0.0 contains an unresolvable reference to symbol PyLong_AsDouble: it's probably a plugin dpkg-shlibdeps: warning: 107 other similar warnings have been skipped (use -v to see them all) dpkg-shlibdeps: warning: debian/python3-meep/usr/lib/python3/dist-packages/meep/mpb/_mpb.so.33.0.0 contains an unresolvable reference to symbol PyErr_GivenExceptionMatches: it's probably a plugin dpkg-shlibdeps: warning: 98 other similar warnings have been skipped (use -v to see them all) dh_numpy3 make[1]: Leaving directory '/build/reproducible-path/meep-1.29.0' dh_installdeb dh_gencontrol dpkg-gencontrol: warning: package libmeep-dev: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package python3-meep: substitution variable ${python3:Depends} unused, but is defined dpkg-gencontrol: warning: package libmeep33: substitution variable ${python3:Depends} unused, but is defined dh_md5sums dh_builddeb dpkg-deb: building package 'meep' in '../meep_1.29.0-1_arm64.deb'. dpkg-deb: building package 'libmeep33-dbgsym' in '../libmeep33-dbgsym_1.29.0-1_arm64.deb'. dpkg-deb: building package 'libmeep-dev' in '../libmeep-dev_1.29.0-1_arm64.deb'. dpkg-deb: building package 'python3-meep' in '../python3-meep_1.29.0-1_arm64.deb'. dpkg-deb: building package 'meep-dbgsym' in '../meep-dbgsym_1.29.0-1_arm64.deb'. dpkg-deb: building package 'libmeep33' in '../libmeep33_1.29.0-1_arm64.deb'. dpkg-deb: building package 'python3-meep-dbgsym' in '../python3-meep-dbgsym_1.29.0-1_arm64.deb'. dpkg-genbuildinfo --build=binary -O../meep_1.29.0-1_arm64.buildinfo dpkg-genchanges --build=binary -O../meep_1.29.0-1_arm64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/718150 and its subdirectories I: Current time: Sun Mar 9 13:57:46 -12 2025 I: pbuilder-time-stamp: 1741571866 Mon Mar 10 01:57:51 UTC 2025 I: 1st build successful. Starting 2nd build on remote node codethink03-arm64.debian.net. Mon Mar 10 01:57:51 UTC 2025 I: Preparing to do remote build '2' on codethink03-arm64.debian.net. Mon Mar 10 02:41:15 UTC 2025 I: Deleting $TMPDIR on codethink03-arm64.debian.net. Mon Mar 10 02:41:16 UTC 2025 I: meep_1.29.0-1_arm64.changes: Format: 1.8 Date: Sat, 01 Mar 2025 13:42:08 +0100 Source: meep Binary: libmeep-dev libmeep33 libmeep33-dbgsym meep meep-dbgsym python3-meep python3-meep-dbgsym Architecture: arm64 Version: 1.29.0-1 Distribution: unstable Urgency: medium Maintainer: Thorsten Alteholz Changed-By: Thorsten Alteholz Description: libmeep-dev - development library for using meep libmeep33 - library for using meep meep - software package for FDTD simulation python3-meep - software package for FDTD simulation with Python Closes: 1094928 1097134 Changes: meep (1.29.0-1) unstable; urgency=medium . * New upstream release. * debian/rules: add call to dh_numpy3 (Closes: #1094928) * debian/control: only build on 64 bit architectures (Closes: #1097134) Checksums-Sha1: 26a6b2cef60599764de666544721c4665ddc0433 485444 libmeep-dev_1.29.0-1_arm64.deb 35c3c201e3889159cf961d241484b2e83777b85a 3457136 libmeep33-dbgsym_1.29.0-1_arm64.deb dfe5b3b00f530d29c805901a84329b2044900090 468064 libmeep33_1.29.0-1_arm64.deb af8194aaa60363f6baf699a973abffb1b21d764a 1911868 meep-dbgsym_1.29.0-1_arm64.deb f7a744dba1281ea400cbff7c00676feee719f2ef 14276 meep_1.29.0-1_arm64.buildinfo 1fa1db8738d293ad98f703d59dc2f0bc0b71af85 276540 meep_1.29.0-1_arm64.deb 9b9b4348b8f029e74cdc1230125bbd5a3130d1fa 4702292 python3-meep-dbgsym_1.29.0-1_arm64.deb fd09addf9efe82b3c9ac050af139b57cdc5b4f6e 800520 python3-meep_1.29.0-1_arm64.deb Checksums-Sha256: cd5191e6d23fc629cb0cf4c8b7a9bacfd4fe41fd751fae438aaacd3926752d69 485444 libmeep-dev_1.29.0-1_arm64.deb 68208f9cf26d40ae5b25c9f0bd6383459bff55ed1d1db2daf87b9048483aafc2 3457136 libmeep33-dbgsym_1.29.0-1_arm64.deb b6ae236552946a562151cc03239504b436cb9fbd716717daf573a784095b7ac1 468064 libmeep33_1.29.0-1_arm64.deb 9c123e38aec2170f1ad299965bf69fa8800b2abde683f07dd0df38558f1f8209 1911868 meep-dbgsym_1.29.0-1_arm64.deb 3d5a3a19f515383ad10e8a74e82350f86458a50dac2089144a5b7f288f573ffa 14276 meep_1.29.0-1_arm64.buildinfo b0bd533299c44f0b0ce347ffe20c0736b24a0eca5a42ff00b5add3cb84856b65 276540 meep_1.29.0-1_arm64.deb 1b554a446b7aa462950e7c73873a83d413180a2fc7c513d402fb4e9150982dad 4702292 python3-meep-dbgsym_1.29.0-1_arm64.deb 60a7e784dbc9f37afb31f47d7c35a5237590155af14aa66cd754548789fea520 800520 python3-meep_1.29.0-1_arm64.deb Files: bd545b43633e8c4cce10caacf69ca85a 485444 libdevel optional libmeep-dev_1.29.0-1_arm64.deb 64835c8b339ad506a7f6260cc92c93e0 3457136 debug optional libmeep33-dbgsym_1.29.0-1_arm64.deb a9062cdd980a5f68f245259714524841 468064 libs optional libmeep33_1.29.0-1_arm64.deb 3ee0dbc12bbc02167b5d5c9625ce6bcc 1911868 debug optional meep-dbgsym_1.29.0-1_arm64.deb 907562c4b24da7a0886290b48056c104 14276 science optional meep_1.29.0-1_arm64.buildinfo ee8863a7c50ef71a64491ba89a224d64 276540 science optional meep_1.29.0-1_arm64.deb 4b6ffbe44a36d1c52c11d25123c34fb3 4702292 debug optional python3-meep-dbgsym_1.29.0-1_arm64.deb 2f30da3e38e45fe824ffe116f62652b9 800520 python optional python3-meep_1.29.0-1_arm64.deb Mon Mar 10 02:41:18 UTC 2025 I: diffoscope 289 will be used to compare the two builds: Running as unit: rb-diffoscope-arm64_7-60906.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/meep_1.29.0-1.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/meep_1.29.0-1.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/meep_1.29.0-1.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/b1/meep_1.29.0-1_arm64.changes /srv/reproducible-results/rbuild-debian/r-b-build.fzksIYND/b2/meep_1.29.0-1_arm64.changes ## command (total time: 0.000s) 0.000s 1 call cmp (internal) ## has_same_content_as (total time: 0.000s) 0.000s 1 call diffoscope.comparators.binary.FilesystemFile ## main (total time: 0.003s) 0.003s 2 calls outputs 0.000s 1 call cleanup Finished with result: success Main processes terminated with: code=exited/status=0 Service runtime: 245ms CPU time consumed: 242ms Mon Mar 10 02:41:18 UTC 2025 I: diffoscope 289 found no differences in the changes files, and a .buildinfo file also exists. Mon Mar 10 02:41:18 UTC 2025 I: meep from trixie built successfully and reproducibly on arm64. Mon Mar 10 02:41:20 UTC 2025 I: Submitting .buildinfo files to external archives: Mon Mar 10 02:41:20 UTC 2025 I: Submitting 16K b1/meep_1.29.0-1_arm64.buildinfo.asc Mon Mar 10 02:41:21 UTC 2025 I: Submitting 16K b2/meep_1.29.0-1_arm64.buildinfo.asc Mon Mar 10 02:41:22 UTC 2025 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Mon Mar 10 02:41:22 UTC 2025 I: Done submitting .buildinfo files. Mon Mar 10 02:41:22 UTC 2025 I: Removing signed meep_1.29.0-1_arm64.buildinfo.asc files: removed './b1/meep_1.29.0-1_arm64.buildinfo.asc' removed './b2/meep_1.29.0-1_arm64.buildinfo.asc'